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

SpectraBase Compound ID	Ka4weLgsyGh
InChI	InChI=1S/C28H49NO2/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-26(31-6)16-20(29-30)17-28(25,5)24(21)14-15-27(22,23)4/h18-19,21-26,30H,7-17H2,1-6H3/b29-20+/t19-,21+,22-,23+,24+,25+,26-,27-,28-/m1/s1/i16D/t16-,19+,21-,22+,23-,24-,25-,26+,27+,28+/m0
InChIKey	LSACMXITTOJWEQ-NOOHQCRTSA-N Google Search
Mol Weight	432.7 g/mol
Molecular Formula	C28H48DNO2
Exact Mass	432.382607 g/mol

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SpectraBase Spectrum ID	34GRs6SOLFV
Name	(3S,4R,5R,8S,9S,10R,13R,14S,17R)-3-deuterio-17-[(1R)-1,5-dimethylhexyl]-4-methoxy-10,13-dimethyl-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one oxime
Alternate Name(s)	(3S,4R,5R,8S,9S,10R,13R,14S,17R)-3-deuterio-4-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one oxime (NZ)-N-[(3S,4R,5R,8S,9S,10R,13R,14S,17R)-3-deuterio-4-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-ylidene]hydroxylamine
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H48DNO2
InChI	InChI=1S/C28H49NO2/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-26(31-6)16-20(29-30)17-28(25,5)24(21)14-15-27(22,23)4/h18-19,21-26,30H,7-17H2,1-6H3/b29-20+/t19-,21+,22-,23+,24+,25+,26-,27-,28-/m1/s1/i16D/t16-,19+,21-,22+,23-,24-,25-,26+,27+,28+/m0
InChIKey	LSACMXITTOJWEQ-NOOHQCRTSA-N
Molecular Weight	432.711 g/mol
SMILES	O\N=C\1C[C@@]2([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2([C@](OC)([C@]1([D])[H])[H])[H])[H])C
SPLASH	splash10-0a4l-9400000000-c269a7275ae8f78ef869
Source of Spectrum	KC-0-3247-44
Wiley ID	782653