(2S,3R,5R,10S,13R,14S,17R)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-6-one
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![(2S,3R,5R,10S,13R,14S,17R)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-6-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9ab9424a9a6445b6b5fb900ddbd179d2.png "(2S,3R,5R,10S,13R,14S,17R)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-6-one")
(2S,3R,5R,10S,13R,14S,17R)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-6-one
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CAS No:
83921-17-9
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Formula:
C27H42O6
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Chemical Name:
(2S,3R,5R,10S,13R,14S,17R)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-6-one
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Synonyms:
83921-17-9;Cholesta-7,9(11)-dien-6-one, 2,3,14,20,22-pentahydroxy-, (2beta,3beta,5beta,22R)-;DTXSID901004082;2,3,14,20,22-Pentahydroxycholesta-7,9(11)-dien-6-one
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CAS No:
(2S,3R,5R,10S,13R,14S,17R)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-6-one Basic Attributes
462.6 g/mol
462.29813906 g/mol
Computed Properties
Molecular Weight:462.6
XLogP3:1.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:462.29813906
Monoisotopic Mass:462.29813906
Topological Polar Surface Area:118
Heavy Atom Count:33
Complexity:878
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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