 Home > Encyclopedia > (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]hexan-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,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]hexan-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,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]hexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol structure

CAS No:
67314-15-2
Formula:
C29H48O
Chemical Name:
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]hexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Synonyms:
26,27-Dinorcholest-5-en-3-ol, 24-(2-methylcyclopropyl)-, (3beta,24R(1S,2R))-;petrosterol;Petrosterol;(25R)-24R,26R-dimethyl-26,27-cyclo-cholest-5-en-3beta-ol;(24R,25R,26R)-24,26-dimethyl-26,27-cyclo-cholest-5-en-3beta-ol;67314-15-2;CHEMBL559744;CHEBI:173046;LMST01110006;(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]hexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;26,27-Dinorcholest-5-en-3-ol, 24-(2-methylcyclopropyl)-, (3beta,24R(1R,2R))-;26,27-Dinorcholest-5-en-3-ol, 24-(2-methylcyclopropyl)-, (3beta,24R(1S,2R))-

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Description

(25R)-24R,26R-dimethyl-26,27-cyclo-cholest-5-en-3beta-ol is a cholestanoid.

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]hexan-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：

412.7 g/mol

Exact Mass：

412.370516150 g/mol

Characteristics

PSA：

20.2 Å²

Drug Information

MeSH Entry Terms：

26,27-Dinorcholest-5-en-3-ol, 24-(2-methylcyclopropyl)-, (3beta,24R(1S,2R))-

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]hexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Use and Manufacturing

Use Classification：

Lipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Calysterols and cyclopropyl sidechain derivatives [ST0111]

Computed Properties

Molecular Weight:412.7
XLogP3:8.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:412.370516150
Monoisotopic Mass:412.370516150
Topological Polar Surface Area:20.2
Heavy Atom Count:30
Complexity:680
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]hexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Description
Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

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