(8R,9S,10R,12S,13S,14S,15S,17S)-17-acetyl-12,15-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
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(8R,9S,10R,12S,13S,14S,15S,17S)-17-acetyl-12,15-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
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CAS No:
6947-43-9
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Formula:
C21H30O4
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Chemical Name:
(8R,9S,10R,12S,13S,14S,15S,17S)-17-acetyl-12,15-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
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Synonyms:
6947-43-9;NSC56952;DTXSID80989400;ZINC4726677;NSC-56952;(8R,9S,10R,12S,13S,14S,15S,17S)-17-acetyl-12,15-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;12,15-Dihydroxypregn-4-ene-3,20-dione;A840894;(8R,9S,10R,12S,13S,14S,15S,17S)-17-ethanoyl-10,13-dimethyl-12,15-bis(oxidanyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
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CAS No:
(8R,9S,10R,12S,13S,14S,15S,17S)-17-acetyl-12,15-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Basic Attributes
346.5 g/mol
346.21440943 g/mol
56952
Computed Properties
Molecular Weight:346.5
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:346.21440943
Monoisotopic Mass:346.21440943
Topological Polar Surface Area:74.6
Heavy Atom Count:25
Complexity:652
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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