(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-(2-phenylmethoxyphenyl)-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one

SpectraBase Compound ID	2iiMh3DfgJy
InChI	InChI=1S/C40H56O2/c1-27(2)12-11-13-28(3)34-20-21-35-32-19-18-30-24-33(37(41)25-40(30,5)36(32)22-23-39(34,35)4)31-16-9-10-17-38(31)42-26-29-14-7-6-8-15-29/h6-10,14-17,27-28,30,32-36H,11-13,18-26H2,1-5H3/t28-,30+,32+,33+,34-,35+,36+,39-,40+/m1/s1
InChIKey	GXMMVPZHQKLDDG-QQYLWNQESA-N Google Search
Mol Weight	568.9 g/mol
Molecular Formula	C40H56O2
Exact Mass	568.428031 g/mol

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SpectraBase Spectrum ID	LrZfXK6tzoU
Name	(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-(2-phenylmethoxyphenyl)-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one
Alternate Name(s)	(3S,5S,8R,9S,10S,13R,14S,17R)-3-(2-benzoxyphenyl)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one (3S,5S,8R,9S,10S,13R,14S,17R)-3-(2-benzyloxyphenyl)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C40H56O2
InChI	InChI=1S/C40H56O2/c1-27(2)12-11-13-28(3)34-20-21-35-32-19-18-30-24-33(37(41)25-40(30,5)36(32)22-23-39(34,35)4)31-16-9-10-17-38(31)42-26-29-14-7-6-8-15-29/h6-10,14-17,27-28,30,32-36H,11-13,18-26H2,1-5H3/t28-,30+,32+,33+,34-,35+,36+,39-,40+/m1/s1
InChIKey	GXMMVPZHQKLDDG-QQYLWNQESA-N
Molecular Weight	568.886 g/mol
SMILES	[C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(C[C@@](c2c(OCc3ccccc3)cccc2)(C(C1)=O)[H])[H])[H])C
SPLASH	splash10-01t9-0000920000-144fce58ffb3367cf5ce
Source of Spectrum	KC-0-459-6
Wiley ID	830047