(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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![(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d55f980e26c646028ffb1ee76d0fa716.png "(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid")
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
structure -
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CAS No:
2287-93-6
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Formula:
C26H40O6
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Chemical Name:
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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Synonyms:
NSC20792;SCHEMBL7880178;NSC-20792;2287-93-6;3alpha,12alpha-Bis(formyloxy)-5beta-cholane-24-oic acid;Cholan-24-oic acid,12-bis(formyloxy)-, (3.alpha.,5.beta.,12.alpha.)-
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CAS No:
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Basic Attributes
448.6 g/mol
448.28248899 g/mol
20792
Computed Properties
Molecular Weight:448.6
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:448.28248899
Monoisotopic Mass:448.28248899
Topological Polar Surface Area:89.9
Heavy Atom Count:32
Complexity:723
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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