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(8R,9R,13R,14S,17R)-17-ethenyl-2-methoxy-13-methyl-7,8,9,11,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-12-one
SpectraBase Compound ID 80DwYk8EVMD
InChI InChI=1S/C21H26O2/c1-4-14-7-10-19-16-9-6-13-5-8-15(23-3)11-17(13)18(16)12-20(22)21(14,19)2/h4-5,8,11,14,16,18-19H,1,6-7,9-10,12H2,2-3H3/t14-,16+,18+,19-,21+/m0/s1
InChIKey XSMZRSHEEAVTJD-ZKGJJJKYSA-N
Mol Weight 310.44 g/mol
Molecular Formula C21H26O2
Exact Mass 310.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7IdQmIVtemS
Name (8R,9R,13R,14S,17R)-17-ethenyl-2-methoxy-13-methyl-7,8,9,11,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-12-one
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Formula C21H26O2
InChI InChI=1S/C21H26O2/c1-4-14-7-10-19-16-9-6-13-5-8-15(23-3)11-17(13)18(16)12-20(22)21(14,19)2/h4-5,8,11,14,16,18-19H,1,6-7,9-10,12H2,2-3H3/t14-,16+,18+,19-,21+/m0/s1
InChIKey XSMZRSHEEAVTJD-ZKGJJJKYSA-N
Molecular Weight 310.437 g/mol
SMILES [C@@]12([C@]([C@@]3(CCc4c([C@@]3(CC2=O)[H])cc(cc4)OC)[H])(CC[C@@]1(C=C)[H])[H])C
SPLASH splash10-03di-0139000000-a260d69f91ad09c1bde4
Source of Spectrum K1-2004-2688-9
Synonyms (8R,9R,13R,14S,17R)-2-methoxy-13-methyl-17-vinyl-7,8,9,11,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-12-one
Wiley ID 1561049