(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol
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![(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d59b3fe10a964216b661b03812059da1.png "(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol")
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol
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CAS No:
105815-87-0
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Formula:
C27H44O4
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Chemical Name:
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol
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Synonyms:
barbourgenin;spirostane-3,27-diol;Barbourgenin;105815-87-0;Spirostane-3,27-diol;Spirostan-3,27-diol;DTXSID10909752;Spirostan-3,27-diol, (3beta,5alpha,25S)-
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CAS No:
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol Basic Attributes
432.6 g/mol
432.32395988 g/mol
Computed Properties
Molecular Weight:432.6
XLogP3:5.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:432.32395988
Monoisotopic Mass:432.32395988
Topological Polar Surface Area:58.9
Heavy Atom Count:31
Complexity:711
Defined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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