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(4aS,4bS,6aR,9S,10aS,10bS,12aR)-9-Isopropenyl-10b,12a,dimethylhexadecahydrobenzo[a]phenanthren-4(1H)-one
SpectraBase Compound ID 5JFwX6GCXeV
InChI InChI=1S/C23H36O/c1-15(2)17-8-7-16-9-10-18-21-20(24)6-5-11-22(21,3)12-13-23(18,4)19(16)14-17/h16-19,21H,1,5-14H2,2-4H3/t16-,17+,18+,19+,21-,22-,23-/m1/s1
InChIKey KHNCUCKTFHJDHR-WJPQBGAJSA-N
Mol Weight 328.5 g/mol
Molecular Formula C23H36O
Exact Mass 328.276616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9DgprBBv23
Name (4aS,4bS,6aR,9S,10aS,10bS,12aR)-9-Isopropenyl-10b,12a,dimethylhexadecahydrobenzo[a]phenanthren-4(1H)-one
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Formula C23H36O
InChI InChI=1S/C23H36O/c1-15(2)17-8-7-16-9-10-18-21-20(24)6-5-11-22(21,3)12-13-23(18,4)19(16)14-17/h16-19,21H,1,5-14H2,2-4H3/t16-,17+,18+,19+,21-,22-,23-/m1/s1
InChIKey KHNCUCKTFHJDHR-WJPQBGAJSA-N
Molecular Weight 328.540 g/mol
SMILES [C@]12([C@]([C@@]3(C(=O)CCC[C@@]3(CC2)C)[H])(CC[C@@]2([C@@]1(C[C@@](C(=C)C)(CC2)[H])[H])[H])[H])C
SPLASH splash10-03dl-9502000000-2e75dda054d18ed92b91
Source of Spectrum C5-2004-628-18
Synonyms (4aS,4bS,6aR,9S,10aS,10bS,12aR)-9-isopropenyl-10b,12a-dimethylhexadecahydro-4(1H)-chrysenone
Wiley ID 1616717