(4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid

Compound number
MolPort-001-794-647
CAS number
128-13-2; 474-25-9
IUPAC
(4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
IUPAC traditional
chenodeoxycholic acid
SMILES
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI key
RUDATBOHQWOJDD-BSWAIDMHSA-N
Molecular formula
Molecular weight
392.58
DMSO Solubility
Not known

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AA BLOCKS

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More Information

Compound identifiers

Compound number
MolPort-001-794-647
CAS number
128-13-2; 474-25-9

Names, Synonyms and 3rd Party Identifiers

Name
"5β-Cholanic Acid-3α,7α-diol, 3α,7α-Dihydroxy-5β-cholanic Acid"
(+)-Chenodeoxycholic Acid
(3?,5?,7?)-3,7-Dihydroxycholan-24-oic acid
(3??,5??,7??)-3,7-Dihydroxycholan-24-oic acid
(3a,5ß,7a)-3,7-Dihydroxycholan-24-oic Acid
(4R)-4-((1S,2S,7S,11S,5R,9R,10R,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo [8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoic acid
17ß-(1-Methyl-3-carboxypropyl)etiocholane-3a,7a-diol
CDCA
Chendol
Chenocol
Chenodiol
Chenodiol, Chenodesoxycholic acid
Cholan-24-oic acid, 3,7-dihydroxy-, (3a,5b,7a)-
Cholan-24-oicacid,3,7-dihydroxy-,(3,5,7)-
Fluibil
chenodeoxycholic acid
MFCD00064142

InChI

InChI
1/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+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
InChI key
RUDATBOHQWOJDD-BSWAIDMHSA-N

Formula

Molecular formula
C24H40O4
Molecular weight
392.58

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