 Home > Encyclopedia > (2S,3R,5S,9R,10R,13R,17R)-17-[(1R)-1-(5,5-dimethyloxolan-2-yl)-1-hydroxyethyl]-2,3,5,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

(2S,3R,5S,9R,10R,13R,17R)-17-[(1R)-1-(5,5-dimethyloxolan-2-yl)-1-hydroxyethyl]-2,3,5,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

(2S,3R,5S,9R,10R,13R,17R)-17-[(1R)-1-(5,5-dimethyloxolan-2-yl)-1-hydroxyethyl]-2,3,5,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one structure

CAS No:
80651-74-7
Formula:
C27H42O7
Chemical Name:
(2S,3R,5S,9R,10R,13R,17R)-17-[(1R)-1-(5,5-dimethyloxolan-2-yl)-1-hydroxyethyl]-2,3,5,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
Synonyms:
Ajugasterone D;80651-74-7;Cholest-7-en-6-one, 22,25-epoxy-2,3,5,14,20-pentahydroxy-, (2beta,3beta,5beta)-;DTXSID901001395;(2S,3R,5S,9R,10R,13R,17R)-17-[(1R)-1-(5,5-dimethyloxolan-2-yl)-1-hydroxyethyl]-2,3,5,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one;2,3,5,14,20-Pentahydroxy-22,25-epoxycholest-7-en-6-one

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(2S,3R,5S,9R,10R,13R,17R)-17-[(1R)-1-(5,5-dimethyloxolan-2-yl)-1-hydroxyethyl]-2,3,5,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one Basic Attributes

Molecular Weight：

478.6 g/mol

Exact Mass：

478.29305367 g/mol

Characteristics

PSA：

127 Å²

Computed Properties

Molecular Weight:478.6
XLogP3:0.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:478.29305367
Monoisotopic Mass:478.29305367
Topological Polar Surface Area:127
Heavy Atom Count:34
Complexity:930
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: lithium carbonate formula; no chemical name; cefepine; 2-chlorobutane; methanol sds; ribose 5 phosphate

Guide of (2S,3R,5S,9R,10R,13R,17R)-17-[(1R)-1-(5,5-dimethyloxolan-2-yl)-1-hydroxyethyl]-2,3,5,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

Basic Attributes
Characteristics
Computed Properties

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