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

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

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

CAS No:
116523-89-8
Formula:
C22H36OS
Chemical Name:
(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-sulfanylpropan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Synonyms:
22-TBCO;22-thio-23,24-bisnor-5-cholen-3-ol;22-Tbco;116523-89-8;22-Thio-23,24-bisnor-5-cholen-3-ol

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

Molecular Weight：

348.6 g/mol

Exact Mass：

348.24868694 g/mol

Characteristics

PSA：

21.2 Å²

Drug Information

MeSH Entry Terms：

22-TBCO

Computed Properties

Molecular Weight:348.6
XLogP3:6.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:348.24868694
Monoisotopic Mass:348.24868694
Topological Polar Surface Area:21.2
Heavy Atom Count:24
Complexity:528
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Drug Information
Computed Properties

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