(3S,5S,10S,13R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
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![(3S,5S,10S,13R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a2fbc0e039c640ccacd84fe4500a5b0c.png "(3S,5S,10S,13R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol")
(3S,5S,10S,13R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
structure -
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CAS No:
23839-47-6
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Formula:
C28H46O
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Chemical Name:
(3S,5S,10S,13R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
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Synonyms:
ignosterol;Ignosterol;UNII-SHK5F5Q59M;SHK5F5Q59M;5alpha-Ergosta-8,14-dien-3beta-ol;23839-47-6;Ergosta-8,14-dien-3-ol;DTXSID90946645;(3S,5S,10S,13R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol;Q27289212
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CAS No:
(3S,5S,10S,13R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol Basic Attributes
398.7 g/mol
398.354866087 g/mol
SHK5F5Q59M
Computed Properties
Molecular Weight:398.7
XLogP3:7.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:398.354866087
Monoisotopic Mass:398.354866087
Topological Polar Surface Area:20.2
Heavy Atom Count:29
Complexity:684
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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