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(1S,3S,6R)-3-N-{(1aR,8aS,9aS)-1,1,8a-Trimethyl-1a,2,8,8a,9,9a-hexahydro-1H-3,8-diazacyclopropa[b]anthracene-4-yl}aminocaran-4-one E-oxime
SpectraBase Compound ID 2bnM0thkuZg
InChI InChI=1S/C26H36N4O/c1-23(2)14-10-20-25(5,12-16(14)23)28-18-8-7-9-19(22(18)27-20)29-26(6)13-17-15(24(17,3)4)11-21(26)30-31/h7-9,14-17,28-29,31H,10-13H2,1-6H3/b30-21+/t14-,15-,16+,17+,25+,26+/m1/s1
InChIKey ZHMAQFHQCNIVQV-HTPCXLGXSA-N
Mol Weight 420.6 g/mol
Molecular Formula C26H36N4O
Exact Mass 420.288912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KdgpqWYJPj
Name (1S,3S,6R)-3-N-{(1aR,8aS,9aS)-1,1,8a-Trimethyl-1a,2,8,8a,9,9a-hexahydro-1H-3,8-diazacyclopropa[b]anthracene-4-yl}aminocaran-4-one E-oxime
Alternate Name(s) (1R,3E,4S,6S)-4-{[(1aR,8aS,9aS)-1,1,8a-trimethyl-1a,2,8,8a,9,9a-hexahydro-1H-cyclopropa[b]phenazin-4-yl]amino}-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one oxime (1R,4S,6S)-4,7,7-Trimethyl-4-((1aR,8aS,9aS)-1,1,8a-trimethyl-1a,2,8,8a,9,9a-hexahydro-1H-3,8-diaza-cyclopropa[b]anthracen-4-ylamino)-bicyclo[4.1.0]heptan-3-one oxime
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Formula C26H36N4O
InChI InChI=1S/C26H36N4O/c1-23(2)14-10-20-25(5,12-16(14)23)28-18-8-7-9-19(22(18)27-20)29-26(6)13-17-15(24(17,3)4)11-21(26)30-31/h7-9,14-17,28-29,31H,10-13H2,1-6H3/b30-21+/t14-,15-,16+,17+,25+,26+/m1/s1
InChIKey ZHMAQFHQCNIVQV-HTPCXLGXSA-N
Molecular Weight 420.601 g/mol
SMILES N1c2c(c(N[C@@]3(\C(=N\O)C[C@@]4([C@](C3)(C4(C)C)[H])[H])C)ccc2)N=C2[C@@]1(C[C@]1([C@@](C2)(C1(C)C)[H])[H])C
SPLASH splash10-00di-0932000000-48e161d04ce2dc82ce51
Source of Spectrum F-53-9767-8
Wiley ID 803069