CAS No 641-81-6 , (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 Search by region : Germany

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: 641-81-6; NSC 18170; BRN 3222755; 3alpha,12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid;(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;a-apocholic acid; NSC 31615;
CAS Registry Number:641-81-6
Melting Point: 175-176 °C(lit.)
Flash Point: 306.8°C
Boiling Point: 560.5°C at 760 mmHg
Density: 1.17g/cm³
Refractive index: 1.567
Safety Statements: Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
Flash Point: 306.8°C
Molecular Weight: 390.55612
InchiKey: XWJTYEGVQBFZHI-IMPNNSMHSA-N
InChI: 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/h14-16,18,20-21,25-26H,4-13H2,1-3H3,
(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/m1/s1
Molecular Formula: C₂₄H₃₈O₄
Molecular Structure:

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CAS No 641-81-6 , (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 Search by region : Germany