 Home > Encyclopedia > [(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-iodo-2,6-dimethylbenzoate

[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-iodo-2,6-dimethylbenzoate

[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-iodo-2,6-dimethylbenzoate structure

CAS No:
124784-16-3
Formula:
C30H39IO3
Chemical Name:
[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-iodo-2,6-dimethylbenzoate
Synonyms:
P-2,6-DIB;pregnenolone 2,6-dimethyl-3-iodobenzoate;124784-16-3;P-2,6-Dib;Pregnenolone 2,6-dimethyl-3-iodobenzoate;DTXSID80924932;20-Oxopregn-5-en-3-yl 3-iodo-2,6-dimethylbenzoate;Pregn-5-en-20-one, 3-((3-iodo-2,6-dimethylbenzoyl)oxy)-, (3beta)-

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[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-iodo-2,6-dimethylbenzoate Basic Attributes

Molecular Weight：

574.5 g/mol

Exact Mass：

574.19439 g/mol

Characteristics

PSA：

43.4 Å²

Drug Information

MeSH Entry Terms：

P-2,6-DIB

Computed Properties

Molecular Weight:574.5
XLogP3:7.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:574.19439
Monoisotopic Mass:574.19439
Topological Polar Surface Area:43.4
Heavy Atom Count:34
Complexity:865
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-iodo-2,6-dimethylbenzoate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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