(3S,8S,9S,10R,13S,14S,16S,17R)-10,13-dimethyl-17-[(2R,6R)-6-methyl-7-oxidanyl-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol

SpectraBase Compound ID	99Cehn4GwZG
InChI	InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)25-24(30)15-23-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h8,17-18,20-25,28-30H,5-7,9-16H2,1-4H3/t17-,18-,20+,21-,22+,23+,24+,25+,26+,27+/m1/s1
InChIKey	NUHIVWGZNPMOCV-MZVWGMDXSA-N Google Search
Mol Weight	418.7 g/mol
Molecular Formula	C27H46O3
Exact Mass	418.344695 g/mol

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SpectraBase Spectrum ID	KgvCuTN7G3b
Name	(3S,8S,9S,10R,13S,14S,16S,17R)-10,13-dimethyl-17-[(2R,6R)-6-methyl-7-oxidanyl-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
CAS Registry Number	31327-56-7
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H46O3
InChI	InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)25-24(30)15-23-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h8,17-18,20-25,28-30H,5-7,9-16H2,1-4H3/t17-,18-,20+,21-,22+,23+,24+,25+,26+,27+/m1/s1
InChIKey	NUHIVWGZNPMOCV-MZVWGMDXSA-N
Molecular Weight	418.662 g/mol
SMILES	O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@]([C@](C4)(O)[H])([C@@](CCC[C@](CO)(C)[H])(C)[H])[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH	splash10-0udi-0055900000-06c41e749f1f56b49694
Source of Spectrum	K-112-2684-0
Synonyms	(3S,8S,9S,10R,13S,14S,16S,17R)-17-[(1R,5R)-6-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol (3S,8S,9S,10R,13S,14S,16S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
Wiley ID	1377447