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(1S,3S,12aR)-3-Isopropenyl-8-methoxy-12a-methyl-1,2,3,4,4a,5,6,11,12,12a-decahydro-chrysene-1-carbonitrile
SpectraBase Compound ID 1pLKgLOiVmp
InChI InChI=1S/C24H27NO/c1-15(2)17-11-18(14-25)24(3)10-9-21-20-8-6-19(26-4)12-16(20)5-7-22(21)23(24)13-17/h6,8,12-13,17-18H,1,5,7,9-11H2,2-4H3/t17-,18+,24+/m0/s1
InChIKey HQMWSWVERPDQAP-HOOSLVGPSA-N
Mol Weight 345.49 g/mol
Molecular Formula C24H27NO
Exact Mass 345.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yQrXdC4s1A
Name (1S,3S,12aR)-3-Isopropenyl-8-methoxy-12a-methyl-1,2,3,4,4a,5,6,11,12,12a-decahydro-chrysene-1-carbonitrile
Appearance Yellow oil
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Formula C24H27NO
InChI InChI=1S/C24H27NO/c1-15(2)17-11-18(14-25)24(3)10-9-21-20-8-6-19(26-4)12-16(20)5-7-22(21)23(24)13-17/h6,8,12-13,17-18H,1,5,7,9-11H2,2-4H3/t17-,18+,24+/m0/s1
InChIKey HQMWSWVERPDQAP-HOOSLVGPSA-N
Instrument Name Finnigan Mat 95
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0006.e04
Molecular Weight 345.486 g/mol
Reported Formula C24H27NO
SMILES C1C[C@]2(C(C3=C1c1c(CC3)cc(cc1)OC)=C[C@](C[C@@]2(C#N)[H])(C(C)=C)[H])C
SPLASH splash10-0002-0009000000-0f45c7eb26d0603d84e4
Source of Spectrum ARK-2005-35-17
Wiley ID 1870943