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EC number: 206-132-7 | CAS number: 302-95-4
Reference substances
- IUPAC name:
- sodium 3,12-dihydroxycholan-24-oate
Inventory
- EC number:
- 206-132-7
- EC name:
- Sodium 3-α,12-α-dihydroxy-5-β-cholan-24-oate
- CAS number:
- 302-95-4
- CAS number:
- 302-95-4
Synonyms
- Names:
- 5.beta.-Cholan-24-oic acid, 3.alpha.,12.alpha.-dihydroxy-, monosodium salt
- Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3.alpha.,5.beta.,12.alpha.)-
- Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3?,5ß,12?)-
- Identifier:
- CAS number
- 145224-92-6
- Identifier:
- EC number
- 206-132-7
- Identifier:
- 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]phenanthren-17-yl]pentanoate
- Identifier:
- 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]phenanthren-17-yl]pentanoate;hydrate
- Identifier:
- common name
- Desoxycholic acid sodium salt
- Identifier:
- other: InChl
- 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;+1/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m1./s1
- Identifier:
- other: Molecular formula
- C24H39NaO4 · H2O
- Identifier:
- other: SMILES notation
- 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.O.[Na+]
- Identifier:
- other: SMILES notation
- 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.[Na+]
- Identifier:
- other: InChl
- 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);;1H2/q;+1;/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;;/m1../s1
Molecular and structural information
- Molecular formula:
- C24H40O4.Na
- Molecular weight:
- 414.554
- SMILES notation:
- [Na+].C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
- InChl:
- InChI=1/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;+1/p-1
- Structural formula:
Related substances
- Identifier:
- CAS number
- Identity:
- 302-95-4
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