Apocholic Acid

CAS
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Purity
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CAS
641-81-6
Size
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Purity
96%
Price
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Catalog Number

ACM641816

Product Name

Apocholic Acid

Structure

CAS

641-81-6

Category

Heterocyclic Organic Compound

Synonyms

3,12-dihydroxy-,(3-alpha,5-beta,12-alpha)-chol-8(14)-en-24-oicaci;3-alpha,12-alpha-dihydroxy-5-beta-chol-8(14)-en-24-oicaci;APOCHOLIC ACID;5-BETA,18(14)-CHOLEN-24-OIC ACID-3-ALPHA,12-ALPHA-DIOL;5BETA,8(14)-CHOLEN-24-OIC ACID-3ALPHA,12ALPHA-DIOL;3ALPHA,12

IUPAC Name

(4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Molecular Weight

390.56

Molecular Formula

C24H38O4

Canonical SMILES

C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4C[C@@H](CC[C@@]4([C@H]3C[C@@H]([C@H]12C)O)C)O

InChI Key

XWJTYEGVQBFZHI-IMPNNSMHSA-N

Boiling Point

560.5ºC at 760 mmHg

Melting Point

175-176ºC(lit.)