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(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-one oxime
SpectraBase Compound ID GiYmEshzRd3
InChI InChI=1S/C27H45NO/c1-18(2)8-6-9-19(3)21-13-14-22-20-11-12-24-25(28-29)10-7-16-26(24,4)23(20)15-17-27(21,22)5/h7,10,18-24,29H,6,8-9,11-17H2,1-5H3/b28-25+/t19-,20+,21-,22+,23+,24+,26-,27-/m1/s1
InChIKey MCRBWBDXYIXJFZ-KJFVPFBLSA-N
Mol Weight 399.7 g/mol
Molecular Formula C27H45NO
Exact Mass 399.350115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgPjoAJL66t
Name (5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-one oxime
Alternate Name(s) (5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-one oxime (NE)-N-[(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-ylidene]hydroxylamine
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Formula C27H45NO
InChI InChI=1S/C27H45NO/c1-18(2)8-6-9-19(3)21-13-14-22-20-11-12-24-25(28-29)10-7-16-26(24,4)23(20)15-17-27(21,22)5/h7,10,18-24,29H,6,8-9,11-17H2,1-5H3/b28-25+/t19-,20+,21-,22+,23+,24+,26-,27-/m1/s1
InChIKey MCRBWBDXYIXJFZ-KJFVPFBLSA-N
Molecular Weight 399.663 g/mol
SMILES O\N=C\1[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])(CC=C1)C)[H]
SPLASH splash10-067m-7309000000-b36becf74488a00414f6
Source of Spectrum KC-0-3248-26
Wiley ID 782650