(3S,7R,8R,9R,10S,13R,14R,17R)-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
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![(3S,7R,8R,9R,10S,13R,14R,17R)-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3ecf09669da948c79f47680cf9502c3b.png "(3S,7R,8R,9R,10S,13R,14R,17R)-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol")
(3S,7R,8R,9R,10S,13R,14R,17R)-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
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CAS No:
61737-96-0
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Formula:
C28H46O3
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Chemical Name:
(3S,7R,8R,9R,10S,13R,14R,17R)-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
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Synonyms:
Nephalsterol B;Nephalsterol-B;61737-96-0;(3S,7S,8R,9R,10S,13R,14R,17R)-17-((R)-1,5-Dimethyl-4-methylene-hexyl)-10-hydroxymethyl-13-methyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthrene-3,7-diol;(3S,7S,8R,9R,10S,13R,14R,17R)-17-((R)-1,5-Dimethyl-4-methylene-hexyl)-10-hydroxymethyl-13-methyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol;DTXSID90977318;Ergosta-5,24(28)-diene-3,7,19-triol, (3beta,7beta)-;Ergosta-5,24(28)-diene-3,7,19-triol, (3.beta.,7.beta.)-;(3S,7R,8R,9R,10S,13R,14R,17R)-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol;Ergosta-5,24(28)-diene-3,7,19-triol;(3S,7R,8R,9R,10S,13R,14R,17R)-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
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CAS No:
(3S,7R,8R,9R,10S,13R,14R,17R)-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol Basic Attributes
430.7 g/mol
430.34469533 g/mol
Computed Properties
Molecular Weight:430.7
XLogP3:6.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:430.34469533
Monoisotopic Mass:430.34469533
Topological Polar Surface Area:60.7
Heavy Atom Count:31
Complexity:711
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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