(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxyoct-3-yn-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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![(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxyoct-3-yn-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/eeb2897c0d58436c9752c65f0101ec2b.png "(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxyoct-3-yn-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol")
(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxyoct-3-yn-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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CAS No:
86532-88-9
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Formula:
C27H42O2
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Chemical Name:
(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxyoct-3-yn-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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Synonyms:
20-(1-hexynyl)-5-pregnen-3,20-diol;20-HYP-diol;20-Hyp-diol;20-(1-Hexynyl)-5-pregnen-3,20-diol;Pregn-5-ene-3,20-diol, 20-(1-hexynyl)-, (3beta,20R)-;86532-88-9
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CAS No:
(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxyoct-3-yn-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Basic Attributes
398.6 g/mol
398.318480578 g/mol
Computed Properties
Molecular Weight:398.6
XLogP3:6.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:398.318480578
Monoisotopic Mass:398.318480578
Topological Polar Surface Area:40.5
Heavy Atom Count:29
Complexity:725
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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