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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.

Ancestors:

Organic compounds ⮕ Lipids and lipid-like molecules ⮕ Steroids and steroid derivatives ⮕ Bile acids, alcohols and derivatives ⮕ Hydroxy bile acids, alcohols and derivatives ⮕ Dihydroxy bile acids, alcohols and derivatives
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Items 37-44 of 44

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  1. Sodium chenodeoxycholate
      Grade & Purity: 
    • ≥97%
    Cas Number: 2646-38-0        Compound CID:  23696998
    Formula:  C24H39NaO4        Molecular Weight: 414.55
    IUPAC Name:  sodium;(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)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]
    InChIKey: WDFRNBJHDMUMBL-OICFXQLMSA-M
    InChI:  InChI=1S/C24H40O4.Na/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);show more
    Synonyms: 6V4571KSKE | Cholan-24-oic acid, 3,7-dihydroxy-, monosodium salt, (3-alpha,5-beta,7-alpha)- | S0941 | CCRIS 637 | sod...
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  2. Ursodeoxycholic acid（UDCA）
    Cas Number: 128-13-2        EC Number: 204-879-3
    Formula:  C24H40O4        Molecular Weight: 392.57
    IUPAC Name:  (4R)-4-[(3R,5S,7S,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-UZVSRGJWSA-N
    InChI:  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-show more
    Synonyms: UDCS | 4-10-00-01604 (Beilstein Handbook Reference) | Lyeton | MFCD00003680 | URSODIOL [USP-RS] | UNII-724L30Y2QR | 3...
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  3. Obeticholic acid
    Cas Number: 459789-99-2
    Formula:  C26H44O4        Molecular Weight: 420.63
    IUPAC Name:  (4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenshow more
    SMILES:  CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCC(=O)O)C)C)O
    InChIKey: ZXERDUOLZKYMJM-ZWECCWDJSA-N
    InChI:  InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28show more
    Synonyms: 6-ECDCA | INT-747 | 6-Ethylchenodeoxycholic acid | 6-Ethyl-3α,7α-dihydroxycholan-24-oic Acid | OCA | (3α,5β, 6α,7α)-6...
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  4. Sodium deoxycholate
    Cas Number: 302-95-4        EC Number: 206-132-7        Compound CID:  23668196
    Formula:  C24H39O4Na        Molecular Weight: 414.56
    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.[Na+]
    InChIKey: FHHPUSMSKHSNKW-SMOYURAASA-M
    InChI:  InChI=1S/C24H40O4.Na/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);/q;show more
    Synonyms: Kybella | sodium (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oate | Deoxycholic acid sodium salt | HY-N0593A | Na-...
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  5. Deoxycholic acid
    Cas Number: 83-44-3        EC Number: 201-478-5
    Formula:  C24H40O4        Molecular Weight: 392.58
    IUPAC Name:  (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]phenanthren-1show more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
    InChIKey: KXGVEGMKQFWNSR-LLQZFEROSA-N
    InChI:  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-,15show more
    Synonyms: (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-tetradecahy...
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  6. Deoxy-Bigchap
      Grade & Purity: 
    • ≥90%(HPLC)
    Cas Number: 86303-23-3
    Formula:  C42H75N3O15        Molecular Weight: 862.06
    IUPAC Name:  (2R,3S,4R,5R)-N-[3-[[(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-cycloshow 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(CC3C2CCC4C3(CCC(C4)O)C)O)C
    InChIKey: OJSUWTDDXLCUFR-HGZMBBKESA-N
    InChI:  InChI=1S/C42H75N3O15/c1-22(26-9-10-27-25-8-7-23-18-24(48)12-13-41(23,2)28(25)19-31(51)42(26,27)3)6-11-32(52)45(16-4-14-43-39(59)37(57)35(55)33(53)29(4show more
    Synonyms: 8A64ND3B39 | N,N-Bis(3-(D-gluconamido)propyl)deoxycholamide | D-Gluconamide, N,N'-((((3alpha,5beta,12alpha)-3,12-dihy...
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  7. Methyl Hyodeoxycholate
      Grade & Purity: 
    • ≥98%
    Cas Number: 2868-48-6
    Formula:  C25H42O4        Molecular Weight: 406.61
    IUPAC Name:  methyl (4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-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(CCC3C2CC(C4C3(CCC(C4)O)C)O)C
    InChIKey: BWDRDVHYVJQWBO-QWXHOCAMSA-N
    InChI:  InChI=1S/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,1show more
    Synonyms: Hyodeoxycholic Acid Methyl Ester | (R)-methyl 4-((3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethylhexadec...
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  8. Ursodeoxycholic Acid Methyl Ester
      Grade & Purity: 
    • ≥97%
    Cas Number: 10538-55-3        Compound CID:  9801465
    Formula:  C25H42O4        Molecular Weight: 406.6
    IUPAC Name:  methyl (4R)-4-[(3R,5S,7S,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-ZQMFMVRBSA-N
    InChI:  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+,17show more
    Synonyms: 3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid Methyl ester | methyl (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-di...
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