(3R,4R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1R)-5-methyl-1-methylol-hexyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol

SpectraBase Compound ID	cFkEJJEgQI
InChI	InChI=1S/C27H46O3/c1-17(2)6-5-7-18(16-28)20-10-11-21-19-8-9-23-25(30)24(29)13-15-27(23,4)22(19)12-14-26(20,21)3/h9,17-22,24-25,28-30H,5-8,10-16H2,1-4H3/t18-,19-,20+,21-,22-,24+,25+,26+,27+/m0/s1
InChIKey	GUHFIBWFGKGODV-STTSHYNVSA-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	59W68DJLOwG
Name	(3R,4R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1R)-5-methyl-1-methylol-hexyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
Alternate Name(s)	(3R,4R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-1-oxidanyl-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol (3R,4R,8S,9S,10R,13S,14S,17R)-17-[(1R)-1-(hydroxymethyl)-5-methyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol (3R,4R,8S,9S,10R,13S,14S,17R)-17-[(2R)-1-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-3,4-diol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H46O3
InChI	InChI=1S/C27H46O3/c1-17(2)6-5-7-18(16-28)20-10-11-21-19-8-9-23-25(30)24(29)13-15-27(23,4)22(19)12-14-26(20,21)3/h9,17-22,24-25,28-30H,5-8,10-16H2,1-4H3/t18-,19-,20+,21-,22-,24+,25+,26+,27+/m0/s1
InChIKey	GUHFIBWFGKGODV-STTSHYNVSA-N
Molecular Weight	418.662 g/mol
SMILES	OC[C@@]([C@]1(CC[C@]2([C@@]3(CC=C4[C@](CC[C@]([C@@]4(O)[H])(O)[H])([C@]3(CC[C@]12C)[H])C)[H])[H])[H])(CCCC(C)C)[H]
SPLASH	splash10-0udi-0003900000-232000005fee1491ef78
Source of Spectrum	X4-24-319-0
Wiley ID	1586121