Dihydroxy bile acids, alcohols and derivatives

Description:

Compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.

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  1. Glycodeoxycholic acid free acid
    CAS: 1079043-81-4 EC Number: 623-793-0 PubChem CID: 16219427
    Out of Stock Item #: G1308488
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    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
  2. 25R,5alpha-Spirostan-3beta,5-diol-6-one
    CAS: 56786-63-1 PubChem CID: 69906537 Formula: C27H42O5 Molecular Weight: 446.63
    Out of Stock Item #: R1338339
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    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
  3. 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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    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
  4. 3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid
    CAS: 17974-66-2 Formula: C27H46O4 Molecular Weight: 434.7
    Out of Stock Item #: A1257059
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    IUPAC Name
    (6R)-6-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-show more
    SMILES
    C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
    InChIKey
    ITZYGDKGRKKBSN-HKFUITGCSA-N
    InChI
    1S/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-show more
  5. 3beta,7alpha-Dihydroxy-5beta-cholan-24-oic Acid
    CAS: 566-24-5 PubChem CID: 164673 Formula: C24H40O4 Molecular Weight: 392.57
    Out of Stock Item #: B1045699
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    Technical Identifiers
    IUPAC Name
    (4R)-4-[(3S,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-show more
    SMILES
    CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
    InChIKey
    RUDATBOHQWOJDD-JGFDLHJZSA-N
    InChI
    1S/C24H40O4/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/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,1show more
  6. 12-Ketochenodeoxycholic acid
    CAS: 2458-08-4 EC Number: 219-542-6 Formula: C24H38O5 Molecular Weight: 406.56
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    Out of Stock Item #: K1047780
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    Technical Identifiers
    IUPAC Name
    (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1show more
    SMILES
    C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
    InChIKey
    MIHNUBCEFJLAGN-DMMBONCOSA-N
    InChI
    1S/C24H38O5/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/h13-19,22,25-26H,4-12H2,1-3H3,(H,28,29)/t13-,14show more
    Synonyms
    (R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-...
  7. Cholic Acid 7-sulfate
    CAS: 60320-05-0 PubChem CID: 459070
    Out of Stock Item #: C769807
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    IUPAC Name
    (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[ashow more
    SMILES
    CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)OS(=O)(=O)O)O)C
    InChIKey
    RRVLNNMINXAIKC-OELDTZBJSA-N
    InChI
    1S/C24H40O8S/c1-13(4-7-21(27)28)16-5-6-17-22-18(12-20(26)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)32-33(29,30)31/h13-20,22,25-26H,4-12H2,1-3H3,(H,2show more
  8. Sodium deoxycholate monohydrate
    CAS: 145224-92-6 EC Number: 206-132-7 PubChem CID: 23679071 Formula: C24H39NaO4 · H2O Molecular Weight: 432.57
    Solid UltraBio™ ? UltraBio™ — Aladdin's line for molecular-biology applications. Use for nuclease-free, high-consistency reagents across molecular workflows. ≥99%(NT)
    Out of Stock Item #: S755574
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    Technical Identifiers
    IUPAC Name
    sodium;(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]phenanshow more
    SMILES
    CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.O.[Na+]
    InChIKey
    NDVHNZISGVSFMP-WTCAICSISA-M
    InChI
    1S/C24H40O4.Na.H2O/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);;1H2show more
  9. Sodium deoxycholate monohydrate
    CAS: 145224-92-6 EC Number: 206-132-7 PubChem CID: 23679071 Formula: C24H39NaO4 · H2O Molecular Weight: 432.57
    Solid BioReagent ? BioReagent grade — tested suitable for life-science and molecular-biology use. Use for cell culture, assays, and biochemical work needing biological compatibility. ≥99%(T)
    Out of Stock Item #: S755665
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    Technical Identifiers
    IUPAC Name
    sodium;(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]phenanshow more
    SMILES
    CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.O.[Na+]
    InChIKey
    NDVHNZISGVSFMP-WTCAICSISA-M
    InChI
    1S/C24H40O4.Na.H2O/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);;1H2show more
  10. MethylChenodeoxycholate
    CAS: 3057-04-3 PubChem CID: 11069533 Formula: C25H42O4 Molecular Weight: 406.6
    Out of Stock Item #: M725500
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    IUPAC Name
    methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthshow more
    SMILES
    CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
    InChIKey
    GRQROVWZGGDYSW-IFJDUOSNSA-N
    InChI
    1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,show more
  11. 3alpha,12beta-Dihydroxy-5beta-cholan-24-oic Acid
    CAS: 570-62-7 Formula: C24H40O4 Molecular Weight: 392.6
    Out of Stock Item #: A709584
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    Technical Identifiers
    IUPAC Name
    (4R)-4-[(3R,5R,8R,9S,10S,12R,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
    CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
    InChIKey
    KXGVEGMKQFWNSR-MFSKYVBHSA-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
  12. 7α,12α-Dihydroxy-5β-cholan-24-oic Acid
    CAS: 566-17-6 Formula: C24H40O4 Molecular Weight: 392.57
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    Out of Stock Item #: D669675
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    Technical Identifiers
    IUPAC Name
    (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-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@@]12[C@@]3([C@]([C@]4([C@](C)([C@@H](O)C3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])([C@H](O)C[C@@]1(CCCC2)[H])[H])[H]
    InChIKey
    ZHCAAZIHTDCFJX-QLEQUTGBSA-N
    InChI
    1S/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,1show more
    Synonyms
    (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahy...
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