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Trihydroxy bile acids, alcohols and derivatives

Description:

Prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups.

Ancestors:

Organic compounds ⮕ Lipids and lipid-like molecules ⮕ Steroids and steroid derivatives ⮕ Bile acids, alcohols and derivatives ⮕ Hydroxy bile acids, alcohols and derivatives ⮕ Trihydroxy bile acids, alcohols and derivatives

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  1. BAR 501 impurity
    BAR 501 impurity
    CAS: 1632118-70-7 PubChem CID: 101886306
    Out of Stock Item #: B1295178
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    Technical Identifiers
    IUPAC Name
    (3R,5S,6S,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenshow more
    SMILES
    CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCCO)C)C)O
    InChIKey
    DQBAHTQWQZRMFH-GRVUFFLBSA-N
    InChI
    1S/C26H46O3/c1-5-18-22-15-17(28)10-12-26(22,4)21-11-13-25(3)19(16(2)7-6-14-27)8-9-20(25)23(21)24(18)29/h16-24,27-29H,5-15H2,1-4H3/t16-,17-,18+,19-,20+show more
  2. 1beta-Hydroxydeoxycholic acid
    1beta-Hydroxydeoxycholic acid
    CAS: 80434-32-8 Formula: C24H40O5 Molecular Weight: 408.600
    Out of Stock Item #: B991429
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    Technical Identifiers
    IUPAC Name
    (4R)-4-[(1R,3S,5R,8S,9S,10S,12S,13R,14S,17R)-1,3,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenantshow more
    SMILES
    C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3([C@@H](C[C@H](C4)O)O)C)O)C
    InChIKey
    DAKYVYUAVGJDRK-FPUZENINSA-N
    InChI
    1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,1show more
  3. 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid
    3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid
    CAS: 71883-64-2 PubChem CID: 5283869 Formula: C24H40O5 Molecular Weight: 408.57
    ≥99%
    Out of Stock Item #: A985070
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    Technical Identifiers
    IUPAC Name
    (4R)-4-[(3R,5S,7R,8R,9S,10S,12R,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenantshow more
    SMILES
    CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
    InChIKey
    BHQCQFFYRZLCQQ-KRHHAYMPSA-N
    InChI
    1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14show more
  4. 3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholestan-26-oic acid
    3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholestan-26-oic acid
    CAS: 547-98-8 Formula: C27H46O5 Molecular Weight: 450.7
    ≥99%
    Out of Stock Item #: A1339100
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    Technical Identifiers
    IUPAC Name
    (6R)-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[show more
    SMILES
    C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
    InChIKey
    CNWPIIOQKZNXBB-VCVMUKOKSA-N
    InChI
    1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/tshow more
  5. Norcholic Acid
    Norcholic Acid
    CAS: 60696-62-0 PubChem CID: 158738 Formula: C23H38O5 Molecular Weight: 394.54
    Solid ≥98%
    Out of Stock Item #: N768600
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    Technical Identifiers
    IUPAC Name
    (3R)-3-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenantshow more
    SMILES
    CC(CC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
    InChIKey
    SHUYNJFEXPRUGR-RTCCEZQESA-N
    InChI
    1S/C23H38O5/c1-12(8-20(27)28)15-4-5-16-21-17(11-19(26)23(15,16)3)22(2)7-6-14(24)9-13(22)10-18(21)25/h12-19,21,24-26H,4-11H2,1-3H3,(H,27,28)/t12-,13+,1show more
  6. Bigchap - ≥98% CAS No(86303-22-2) by Aladdin Scientific
    Bigchap
    CAS: 86303-22-2 EC Number: 689-123-4 PubChem CID: 9919170 Formula: C42H75N3O16 Molecular Weight: 878.07
    ≥98%
    Out of Stock Item #: B770998
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    Technical Identifiers
    IUPAC Name
    (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-[3-[3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl-[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)show more
    SMILES
    CC(CCC(=O)N(CCCNC(=O)C(C(C(C(CO)O)O)O)O)CCCNC(=O)C(C(C(C(CO)O)O)O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
    InChIKey
    ZWEVPYNPHSPIFU-AUGHYPCGSA-N
    InChI
    1S/C42H75N3O16/c1-21(24-7-8-25-32-26(18-30(52)42(24,25)3)41(2)11-10-23(48)16-22(41)17-27(32)49)6-9-31(53)45(14-4-12-43-39(60)37(58)35(56)33(54)28(50)1show more
  7. 3β-Cholic Acid
    3β-Cholic Acid
    CAS: 3338-16-7 Formula: C24H40O5 Molecular Weight: 408.57
    ≥98%
    Out of Stock Item #: C709585
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    Technical Identifiers
    IUPAC Name
    (4R)-4-[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenantshow more
    SMILES
    CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
    InChIKey
    BHQCQFFYRZLCQQ-UXWVVXDJSA-N
    InChI
    1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14show more
  8. no_selection
    (4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-4,9a,11a-trimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
    CAS: 102362-49-2 PubChem CID: 128086 Formula: C25H42O5 Molecular Weight: 422.6
    Out of Stock Item #: R669752
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    Technical Identifiers
    IUPAC Name
    (4R)-4-[(3R,5S,7R,8R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-7,10,13-trimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrenshow more
    SMILES
    OC(=O)CC[C@@H](C)[C@]1([H])[C@]2(C)[C@](CC1)([H])[C@@]3([H])[C@@](C[C@@H]2O)([H])[C@]4(C)[C@](C[C@H](O)CC4)([H])C[C@@]3(C)O
    InChIKey
    YSLVYCWXAPPBIQ-HQQQGJIFSA-N
    InChI
    1S/C25H42O5/c1-14(5-8-21(28)29)17-6-7-18-22-19(12-20(27)25(17,18)4)23(2)10-9-16(26)11-15(23)13-24(22,3)30/h14-20,22,26-27,30H,5-13H2,1-4H3,(H,28,29)/tshow more
  9. no_selection
    S-EMCA
    CAS: 1199796-29-6 PubChem CID: 45483949 Formula: C27H46O5 Molecular Weight: 450.65
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: S613531
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    Technical Identifiers
    IUPAC Name
    (2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopshow more
    SMILES
    CCC1C2CC(CCC2(C3CC(C4(C(C3C1O)CCC4C(C)CC(C)C(=O)O)C)O)C)O
    InChIKey
    NPBCMXATLRCCLF-IRRLEISYSA-N
    InChI
    1S/C27H46O5/c1-6-17-20-12-16(28)9-10-26(20,4)21-13-22(29)27(5)18(14(2)11-15(3)25(31)32)7-8-19(27)23(21)24(17)30/h14-24,28-30H,6-13H2,1-5H3,(H,31,32)/tshow more
    Synonyms
    FX0 | 6alpha-Ethyl-23(S)-methylcholic acid | 6alpha-ethyl-23(S)-methyl-cholic acid | 6alpha-ethyl-23(s)-methyl-3alpha...
  10. 7α,27-dihydroxycholesterol - , used for , CAS No. 144300-24-3, by Aladdin Scientific
    7α,27-dihydroxycholesterol
    CAS: 144300-24-3 PubChem CID: 15907756 Formula: C27H46O3 Molecular Weight: 418.65
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: D607260
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    Technical Identifiers
    IUPAC Name
    (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenshow more
    SMILES
    OC[C@@H](CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@H](O)C=C2[C@]1(C)CC[C@@H](C2)O)C)C
    InChIKey
    RXMHNAKZMGJANZ-GNENNHQYSA-N
    InChI
    1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3/t17-,show more
    Synonyms
    7α, 27-OHC
  11. CHAPS - ≥99% CAS No(75621-03-3) by Aladdin Scientific
    CHAPS
    CAS: 75621-03-3 EC Number: 616-246-2 Formula: C32H58N2O7S Molecular Weight: 614.88
    Solid ≥99%
    In Stock Item #: C573615
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cycshow more
    SMILES
    CC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
    InChIKey
    UMCMPZBLKLEWAF-BCTGSCMUSA-N
    InChI
    1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-2show more
    Synonyms
    1-Propanaminium, N,N-dimethyl-N-(3-sulfopropyl)-3-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-y...
  12. CHAPSO
    CHAPSO
    CAS: 82473-24-3 EC Number: 617-338-5 PubChem CID: 122145 Formula: C32H58N2O8S Molecular Weight: 630.88
    UltraBio™ ? UltraBio™ — Aladdin's line for molecular-biology applications. Use for nuclease-free, high-consistency reagents across molecular workflows. Ultra pure ? Ultra-pure grade with very low impurity content across the board. Use for trace analysis, electronics, or processes intolerant of contamination.
    Out of Stock Item #: C434255
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cycshow more
    SMILES
    CC(CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)[O-])O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
    InChIKey
    GUQQBLRVXOUDTN-XOHPMCGNSA-N
    InChI
    1S/C32H58N2O8S/c1-20(7-10-29(39)33-13-6-14-34(4,5)18-23(36)19-43(40,41)42)24-8-9-25-30-26(17-28(38)32(24,25)3)31(2)12-11-22(35)15-21(31)16-27(30)37/h2show more
    Synonyms
    3-((3-Cholamidopropyl)dimethylammonio)-2-hydroxy-1-propane sulfonate | SCHEMBL594591 | A864403 | DTXSID901002705 | 3-...
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