 Home > Encyclopedia > (2S,3R,5R,9R,10R,13R,17S)-17-[(2R)-2,3-dihydroxy-7-iodo-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

(2S,3R,5R,9R,10R,13R,17S)-17-[(2R)-2,3-dihydroxy-7-iodo-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

(2S,3R,5R,9R,10R,13R,17S)-17-[(2R)-2,3-dihydroxy-7-iodo-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one structure

CAS No:
114752-28-2
Formula:
C27H43IO6
Chemical Name:
(2S,3R,5R,9R,10R,13R,17S)-17-[(2R)-2,3-dihydroxy-7-iodo-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Synonyms:
26-iodoponasterone A;26-IPSA;26-Iodoponasterone A;114752-28-2;26-Ipsa;DTXSID80921486;(2S,3R,5R,9R,10R,13R,17S)-17-[(2R)-2,3-dihydroxy-7-iodo-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one;2,3,14,20,22-Pentahydroxy-26-iodocholest-7-en-6-one;Cholest-7-en-6-one, 2,3,14,20,22-pentahydroxy-26-iodo-, (2beta,3beta,5beta,22R)-

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(2S,3R,5R,9R,10R,13R,17S)-17-[(2R)-2,3-dihydroxy-7-iodo-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one Basic Attributes

Molecular Weight：

590.5 g/mol

Exact Mass：

590.21044 g/mol

Characteristics

PSA：

118 Å²

Drug Information

MeSH Entry Terms：

26-iodoponasterone A

Computed Properties

Molecular Weight:590.5
XLogP3:2.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:590.21044
Monoisotopic Mass:590.21044
Topological Polar Surface Area:118
Heavy Atom Count:34
Complexity:847
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2S,3R,5R,9R,10R,13R,17S)-17-[(2R)-2,3-dihydroxy-7-iodo-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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