ABC01562ML

3alpha,12alpha-Dihydroxy-5beta-chol-9(11)-enic Acid

3alpha,12alpha-Dihydroxy-5beta-chol-9(11)-enic Acid is a tetracyclic steroid acid derivative characterized by a 5beta-cholane skeleton with hydroxyl groups at C-3 and C-12 in alpha-configuration, and a conjugated double bond between C-9 and C-11 in the B ring. Its structural features align with bile acid metabolism pathways, exhibiting a 5beta-hydroxylated configuration and a terminal carboxylic acid. This compound serves as a critical HPLC reference standard for quantifying related impurities in cholic acid derivatives during pharmaceutical synthesis.

On Request
Molecular Formula C24H38O4
Molecular Weight 390.6000
CAS Number 62681-12-3 ✓ Verified
PubChem CID 443323 ↗
Purity N/A
Product Type API Impurity
Lead Time On Request
IUPAC Name (4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

📝 Synonyms

3alpha,12alpha-Dihydroxy-5beta-chol-6-en-24-oic acid 62681-12-3 CHEBI:73926 DTXSID80332073 (4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid (4R)-4-((3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-17-yl)pentanoic acid RefChem:1068879 DTXCID30283167 3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate chol-6-en-24-oic acid, 3,12-dihydroxy-, (3alpha,5beta,12alpha)-

🔬 Chemical Identifiers

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C=C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI=1S/C24H38O4/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/h5-6,14-21,25-26H,4,7-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
LNOFKAWCANXKAC-LLQZFEROSA-N

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