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

SpectraBase Compound ID	21V14W4gXEq
InChI	InChI=1S/C28H47NO/c1-18(2)8-7-9-19(3)24-12-13-25-23-11-10-21-17-22(29-30)16-20(4)28(21,6)26(23)14-15-27(24,25)5/h16,18-19,21,23-26,30H,7-15,17H2,1-6H3/b29-22+/t19-,21-,23+,24-,25+,26+,27-,28+/m1/s1
InChIKey	ORMKERCTGBESMN-YFFBDUEJSA-N Google Search
Mol Weight	413.7 g/mol
Molecular Formula	C28H47NO
Exact Mass	413.365765 g/mol

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SpectraBase Spectrum ID	Iu8jTQy5hKm
Name	(5R,8S,9S,10S,13R,14S,17R)-1,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one oxime
Alternate Name(s)	(5R,8S,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-1,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one oxime (NZ)-N-[(5R,8S,9S,10S,13R,14S,17R)-1,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H47NO
InChI	InChI=1S/C28H47NO/c1-18(2)8-7-9-19(3)24-12-13-25-23-11-10-21-17-22(29-30)16-20(4)28(21,6)26(23)14-15-27(24,25)5/h16,18-19,21,23-26,30H,7-15,17H2,1-6H3/b29-22+/t19-,21-,23+,24-,25+,26+,27-,28+/m1/s1
InChIKey	ORMKERCTGBESMN-YFFBDUEJSA-N
Molecular Weight	413.690 g/mol
SMILES	O\N=C\1C[C@@]2([C@@]([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC2)[H])(C(=C1)C)C)[H]
SPLASH	splash10-03ds-0906800000-af5b3994ec9d59902298
Source of Spectrum	KC-1992-3108-23
Wiley ID	777376