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Bile acids, alcohols and derivatives

Description:

Organic compounds containing an alcohol or acid derivative of cholic acid.

Ancestors:

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

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  1. Glycodehydrocholic acid
    Glycodehydrocholic acid
    CAS: 3415-45-0 PubChem CID: 13955640
    Out of Stock Item #: G1242317
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    2-[[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]ashow more
    SMILES
    CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C
    InChIKey
    ZDPYMJNWJWJTAF-HHELISEZSA-N
    InChI
    1S/C26H37NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-15,17-19,24H,4-13H2,1-3H3,(H,2show more
  2. Glycodeoxycholic acid free acid
    Glycodeoxycholic acid free acid
    CAS: 1079043-81-4 EC Number: 623-793-0 PubChem CID: 16219427
    ≥98%
    Out of Stock Item #: G1308488
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrshow more
    SMILES
    CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.O
    InChIKey
    DLOTUJUSJVIXDW-YEUHZSMFSA-N
    InChI
    1S/C26H43NO5.H2O/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3;/h15-22,28-29H,4-14H2,1-3H3,(H,27show more
  3. Glycohyocholic acid - ≥99% CAS No(32747-08-3) by Aladdin Scientific
    Glycohyocholic acid
    CAS: 32747-08-3 PubChem CID: 71361462 Formula: C26H43NO6 Molecular Weight: 465.62
    Solid ≥99%
    Out of Stock Item #: G1252747
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    Technical Identifiers
    IUPAC Name
    2-[[(4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenashow more
    SMILES
    CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C
    InChIKey
    ZQYUKJFJPJDMMR-ZDWCHQGWSA-N
    InChI
    1S/C26H43NO6/c1-14(4-7-20(29)27-13-21(30)31)16-5-6-17-22-18(9-11-25(16,17)2)26(3)10-8-15(28)12-19(26)23(32)24(22)33/h14-19,22-24,28,32-33H,4-13H2,1-3Hshow more
    Synonyms
    GHCA
  4. Inokosterone
    Inokosterone
    CAS: 15130-85-5 Formula: C27H44O7 Molecular Weight: 480.6
    Out of Stock Item #: I1355251
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    Technical Identifiers
    IUPAC Name
    (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,6R)-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydroshow more
    SMILES
    C[C@H](CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O)CO
    InChIKey
    JQNVCUBPURTQPQ-GYVHUXHASA-N
    InChI
    1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-1show more
  5. BAR 501 impurity
    BAR 501 impurity
    CAS: 1632118-70-7 PubChem CID: 101886306
    Out of Stock Item #: B1295178
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    Pricing & Pack Sizes
    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
  6. 7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
    7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
    CAS: 14772-95-3 PubChem CID: 193493 Formula: C24H36O4 Molecular Weight: 388.54
    ≥98%
    Out of Stock Item #: A1343617
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    (4R)-4-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acshow more
    SMILES
    CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4=CC(=O)CCC34C)O)C
    InChIKey
    CFLVYJJIZHNITM-NLXMLWGDSA-N
    InChI
    1S/C24H36O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h12,14,17-20,22,26H,4-11,13H2,1-3H3,(H,27,28)/t14-show more
  7. 3-Oxochola-4,6-dien-24-oic Acid
    3-Oxochola-4,6-dien-24-oic Acid
    CAS: 88179-71-9 PubChem CID: 5283992 Formula: C24H34O3 Molecular Weight: 370.52
    ≥99%
    Out of Stock Item #: O1057203
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    (4R)-4-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
    SMILES
    CC(CCC(=O)O)C1CCC2C1(CCC3C2C=CC4=CC(=O)CCC34C)C
    InChIKey
    CREVIXFSUWYGRJ-IHMUCKAYSA-N
    InChI
    1S/C24H34O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5-6,14-15,18-21H,4,7-13H2,1-3H3,(H,26,27)/t15-,18+,1show more
  8. 25R,5alpha-Spirostan-3beta,5-diol-6-one
    25R,5alpha-Spirostan-3beta,5-diol-6-one
    CAS: 56786-63-1 PubChem CID: 69906537 Formula: C27H42O5 Molecular Weight: 446.63
    ≥98%
    Out of Stock Item #: R1338339
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18R)-16,18-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-oshow more
    SMILES
    CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(=O)C6(C5(CCC(C6)O)C)O)C)C)OC1
    InChIKey
    HCRGPOQBVFMZFY-PPCFKNSFSA-N
    InChI
    1S/C27H42O5/c1-15-5-10-27(31-14-15)16(2)23-21(32-27)12-20-18-11-22(29)26(30)13-17(28)6-9-25(26,4)19(18)7-8-24(20,23)3/h15-21,23,28,30H,5-14H2,1-4H3/t1show more
  9. 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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    Pricing & Pack Sizes
    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
  10. Delta(4)-dafachronic acid
    Delta(4)-dafachronic acid
    CAS: 23017-97-2 Formula: C27H42O3 Molecular Weight: 414.6
    Out of Stock Item #: D1312923
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    (6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
    SMILES
    C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
    InChIKey
    PSXQJZDFWDKBIP-NNWQCNCGSA-N
    InChI
    1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h16-18,21-24H,5-15H2,1-4H3,(H,29,30)/t17-,18show more
  11. Allolithocholic acid
    Allolithocholic acid
    CAS: 2276-94-0 Formula: C24H40O3 Molecular Weight: 376.6
    ≥98%
    Out of Stock Item #: A1319490
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentshow more
    SMILES
    C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C
    InChIKey
    SMEROWZSTRWXGI-NWFSOSCSSA-N
    InChI
    1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17-,18+,19show more
  12. 3beta,12alpha-Dihydroxy-5beta-cholan-24-oic Acid
    3beta,12alpha-Dihydroxy-5beta-cholan-24-oic Acid
    CAS: 570-63-8 Formula: C24H40O4 Molecular Weight: 392.6
    Out of Stock Item #: B1347512
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    (4R)-4-[(3S,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1show 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(CC[C@@H](C4)O)C)O)C
    InChIKey
    KXGVEGMKQFWNSR-OFYXWCICSA-N
    InChI
    1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,show more
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