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Apocholic acid | CAS Number: 641-81-6

Catalog Number
ACM641816
Product Name
Apocholic acid
Structure
CAS Number
641-81-6
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
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
Molecular Weight
390.56
Exact Mass
390.27700
Molecular Formula
C24H38O4
Boiling Point
560.5ºC at 760 mmHg
Melting Point
175-176ºC(lit.)
Flash Point
306.8ºC
Density
1.17g/cm3
Purity
96%
SMILES
CC(CCC(=O)O)C1CCC2=C3CCC4CC(CCC4(C3CC(C12C)O)C)O
InChIKey
XWJTYEGVQBFZHI-IMPNNSMHSA-N
H-Bond Donor
3
H-Bond Acceptor
4
WGK Germany
3
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Tel:1-201-478-8534
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Address: Suite 212, Waverly Plaza, 755 Waverly Avenue, Holtsville, NY 11742, USA