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

View entire compound with spectra: 1 MS (GC)

(3S,5S,8S,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-(hydroxyamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-one oxime
SpectraBase Compound ID 9kP5BbpZKjA
InChI InChI=1S/C27H48N2O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28-30)16-25(29-31)27(19,5)24(21)13-14-26(22,23)4/h17-24,28,30-31H,6-16H2,1-5H3/b29-25+/t18-,19+,20+,21+,22-,23+,24+,26-,27+/m1/s1
InChIKey IKBYUECPRHVYQG-PZJYISMGSA-N
Mol Weight 432.7 g/mol
Molecular Formula C27H48N2O2
Exact Mass 432.371579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1536dUw9FDt
Name (3S,5S,8S,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-(hydroxyamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-one oxime
Alternate Name(s) (3S,5S,8S,9S,10S,13R,14S,17R)-3-(hydroxyamino)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-one oxime (NE)-N-[(3S,5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-(oxidanylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-ylidene]hydroxylamine (NE)-N-[(3S,5S,8S,9S,10S,13R,14S,17R)-3-(hydroxyamino)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-ylidene]hydroxylamine
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Formula C27H48N2O2
InChI InChI=1S/C27H48N2O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28-30)16-25(29-31)27(19,5)24(21)13-14-26(22,23)4/h17-24,28,30-31H,6-16H2,1-5H3/b29-25+/t18-,19+,20+,21+,22-,23+,24+,26-,27+/m1/s1
InChIKey IKBYUECPRHVYQG-PZJYISMGSA-N
Molecular Weight 432.693 g/mol
SMILES N([C@]1(C[C@@]2(CC[C@@]3([C@@]([C@]2(\C(=N\O)C1)C)(CC[C@@]1([C@](CC[C@@]31[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])[H])[H])O
SPLASH splash10-000w-3109500000-d852c7bacb1316dde0bb
Source of Spectrum KC-0-3246-14
Wiley ID 782663