(3S,5R,10S,13R,14R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
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![(3S,5R,10S,13R,14R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b7d2e568a37f4784b70224d5dd6b7a45.png "(3S,5R,10S,13R,14R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one")
(3S,5R,10S,13R,14R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
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CAS No:
69140-15-4
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Formula:
C27H44O2
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Chemical Name:
(3S,5R,10S,13R,14R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
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Synonyms:
3-HCEO;3-hydroxy-5 alpha-cholest-8-en-7-one;3-hydroxycholest-8-en-7-one;3-Hydroxycholest-8-en-7-one;69140-15-4;DTXSID80988852
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CAS No:
(3S,5R,10S,13R,14R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one Basic Attributes
400.6 g/mol
400.334130642 g/mol
Computed Properties
Molecular Weight:400.6
XLogP3:7.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:400.334130642
Monoisotopic Mass:400.334130642
Topological Polar Surface Area:37.3
Heavy Atom Count:29
Complexity:676
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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