[2-[(3R,5R,8S,9S,10S,11S,13S,14S,17S)-3-acetyloxy-11-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
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[2-[(3R,5R,8S,9S,10S,11S,13S,14S,17S)-3-acetyloxy-11-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
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CAS No:
6961-92-8
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Formula:
C25H38O6
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Chemical Name:
[2-[(3R,5R,8S,9S,10S,11S,13S,14S,17S)-3-acetyloxy-11-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
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Synonyms:
6961-92-8;NSC62998;DTXSID40989709;NSC-62998;11-Hydroxy-20-oxopregnane-3,21-diyl diacetate
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CAS No:
[2-[(3R,5R,8S,9S,10S,11S,13S,14S,17S)-3-acetyloxy-11-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate Basic Attributes
434.6 g/mol
434.26683893 g/mol
62998
Computed Properties
Molecular Weight:434.6
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:434.26683893
Monoisotopic Mass:434.26683893
Topological Polar Surface Area:89.9
Heavy Atom Count:31
Complexity:748
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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