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

SpectraBase Compound ID	14m51R7CWFk
InChI	InChI=1S/C28H49NO2/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-26(29-30)16-20(31-6)17-28(25,5)24(21)14-15-27(22,23)4/h18-25,30H,7-17H2,1-6H3/b29-26+/t19-,20+,21+,22-,23+,24+,25+,27-,28-/m1/s1
InChIKey	VHTLWGWGZFBHDA-FJCJAVMPSA-N Google Search
Mol Weight	431.7 g/mol
Molecular Formula	C28H49NO2
Exact Mass	431.37633 g/mol

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SpectraBase Spectrum ID	4a1Ry2eArGz
Name	(2R,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-2-methoxy-10,13-dimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-one oxime
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H49NO2
InChI	InChI=1S/C28H49NO2/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-26(29-30)16-20(31-6)17-28(25,5)24(21)14-15-27(22,23)4/h18-25,30H,7-17H2,1-6H3/b29-26+/t19-,20+,21+,22-,23+,24+,25+,27-,28-/m1/s1
InChIKey	VHTLWGWGZFBHDA-FJCJAVMPSA-N
Molecular Weight	431.705 g/mol
SMILES	O\N=C\1[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[C@](C1)(OC)[H])C)[H]
SPLASH	splash10-059w-9608300000-6497ec41bd4e1644a443
Source of Spectrum	KC-0-3248-47
Synonyms	(2R,5R,8S,9S,10R,13R,14S,17R)-2-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-one oxime (NE)-N-[(2R,5R,8S,9S,10R,13R,14S,17R)-2-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-ylidene]hydroxylamine
Wiley ID	782646