(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-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	4mYDXaPwgtA
InChI	InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25,29H,6-12,14,16-17H2,1-5H3/b28-21+/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey	OLTJIGUXZOBJMV-WWYUOMOLSA-N Google Search
Mol Weight	399.7 g/mol
Molecular Formula	C27H45NO
Exact Mass	399.350115 g/mol

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SpectraBase Spectrum ID	50irZ3BB3VT
Name	(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-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,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one oxime (NZ)-N-[(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-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	C27H45NO
InChI	InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25,29H,6-12,14,16-17H2,1-5H3/b28-21+/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey	OLTJIGUXZOBJMV-WWYUOMOLSA-N
Molecular Weight	399.663 g/mol
SMILES	O\N=C\1C[C@@]2([C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(C=C1)C)[H]
SPLASH	splash10-008a-0709100000-cbe3026880c7c4c82c7f
Source of Spectrum	KC-1992-3108-14
Wiley ID	777380