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2-hydroxy-1-[(3S,9R,10S,13S,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

2-hydroxy-1-[(3S,9R,10S,13S,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone structure

CAS No:
86416-32-2
Formula:
C21H30O3
Chemical Name:
2-hydroxy-1-[(3S,9R,10S,13S,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Synonyms:
21-hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one;metabolite M;86416-32-2;Metabolite M;21-Hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one;SCHEMBL1893491;DTXSID801006823;2-hydroxy-1-[(3S,9R,10S,13S,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;3,21-dihydroxypregna-5,7-dien-20-one;(5Z,7E,9R,10S)-3beta,21-Dihydroxypregna-5,7-diene-20-one;Pregna-5,7-dien-20-one, 3,21-dihydroxy-, (3beta,9beta,10alpha)-

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2-hydroxy-1-[(3S,9R,10S,13S,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone Basic Attributes

Molecular Weight：

330.5 g/mol

Exact Mass：

330.21949481 g/mol

Characteristics

PSA：

57.5 Å²

XLogP3：

3.4078

Melting Point：

207 - 209.5 °C (methanol)

Drug Information

MeSH Entry Terms：

21-hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one

Computed Properties

Molecular Weight:330.5
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:330.21949481
Monoisotopic Mass:330.21949481
Topological Polar Surface Area:57.5
Heavy Atom Count:24
Complexity:619
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: methyl t-butyl ether; pseudomembranous colitis; stranguria; pentanal; butanal; nickel bisulphate formula

Guide of 2-hydroxy-1-[(3S,9R,10S,13S,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Basic Attributes
Characteristics
Drug Information
Computed Properties

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