(8R,9S,13S,14S,16S,17R)-3-methoxy-13-methyl-16-octyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol
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![(8R,9S,13S,14S,16S,17R)-3-methoxy-13-methyl-16-octyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6621d801738549bf86595a9f7f343897.png "(8R,9S,13S,14S,16S,17R)-3-methoxy-13-methyl-16-octyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol")
(8R,9S,13S,14S,16S,17R)-3-methoxy-13-methyl-16-octyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol
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CAS No:
6634-39-5
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Formula:
C27H42O3
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Chemical Name:
(8R,9S,13S,14S,16S,17R)-3-methoxy-13-methyl-16-octyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol
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Synonyms:
3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol;C14994;CHEBI:79517;NSC51844;NSC-51844;Q27148605;6634-39-5
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CAS No:
Description
3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol is a steroid. It derives from a hydride of an estrane.
(8R,9S,13S,14S,16S,17R)-3-methoxy-13-methyl-16-octyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol Basic Attributes
414.6 g/mol
414.31339520 g/mol
51844
Computed Properties
Molecular Weight:414.6
XLogP3:5.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:414.31339520
Monoisotopic Mass:414.31339520
Topological Polar Surface Area:49.7
Heavy Atom Count:30
Complexity:564
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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