(2S,3R,5R,9R,10R,13R)-2,3,14-trihydroxy-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
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![(2S,3R,5R,9R,10R,13R)-2,3,14-trihydroxy-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b855bd1733954836aab2ea5d7d911308.png "(2S,3R,5R,9R,10R,13R)-2,3,14-trihydroxy-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-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)-2,3,14-trihydroxy-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
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CAS No:
34209-85-3
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Formula:
C27H44O5
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Chemical Name:
(2S,3R,5R,9R,10R,13R)-2,3,14-trihydroxy-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
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Synonyms:
DTXSID30955751;34209-85-3;2,3,14,25-tetrahydroxycholest-7-en-6-one
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CAS No:
(2S,3R,5R,9R,10R,13R)-2,3,14-trihydroxy-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one Basic Attributes
448.6 g/mol
448.31887450 g/mol
Computed Properties
Molecular Weight:448.6
XLogP3:2.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:448.31887450
Monoisotopic Mass:448.31887450
Topological Polar Surface Area:98
Heavy Atom Count:32
Complexity:789
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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