 Home > Encyclopedia > 1-[(3S,8S,9S,10R,11R,13S,14S,15R,17S)-3,11,15-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

1-[(3S,8S,9S,10R,11R,13S,14S,15R,17S)-3,11,15-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

1-[(3S,8S,9S,10R,11R,13S,14S,15R,17S)-3,11,15-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone structure

CAS No:
78806-45-8
Formula:
C21H32O4
Chemical Name:
1-[(3S,8S,9S,10R,11R,13S,14S,15R,17S)-3,11,15-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Synonyms:
3 beta,11 alpha,15 beta-trihydroxy-5-pregnen-20-one;3,11,15-THPO;78806-45-8;3,11,15-Thpo;3beta,11alpha,15beta-Trihydroxy-5-pregnen-20-one;DTXSID601000031;3,11,15-trihydroxypregn-5-en-20-one;Pregn-5-en-20-one, 3,11,15-trihydroxy-, (3beta,11alpha,15beta)-

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1-[(3S,8S,9S,10R,11R,13S,14S,15R,17S)-3,11,15-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone Basic Attributes

Molecular Weight：

348.5 g/mol

Exact Mass：

348.23005950 g/mol

Characteristics

PSA：

77.8 Å²

XLogP3：

2.4569

Melting Point：

218.5 - 220 °C (ethyl acetate)

Drug Information

MeSH Entry Terms：

3 beta,11 alpha,15 beta-trihydroxy-5-pregnen-20-one

Computed Properties

Molecular Weight:348.5
XLogP3:1.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:348.23005950
Monoisotopic Mass:348.23005950
Topological Polar Surface Area:77.8
Heavy Atom Count:25
Complexity:613
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

78806-40-3

78806-42-5

Hot Searches: mirtazapine brand name; d glucopyranose; zinc carbonate; benzyl bromide; 1 pentyl alcohol; water msds

Guide of 1-[(3S,8S,9S,10R,11R,13S,14S,15R,17S)-3,11,15-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Basic Attributes
Characteristics
Drug Information
Computed Properties
Synthesis Route

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