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(8S,9R,13R,14R,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 JJzNF8NJB9t
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-XXVMGVCTSA-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 Bpzx1iR4vbf
Name (8S,9R,13R,14R,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-XXVMGVCTSA-N
Molecular Weight 310.437 g/mol
SMILES c1c(cc2c(c1)CC[C@@]1([C@]3(CC[C@@]([C@@]3(C)C(C[C@@]21[H])=O)(C=C)[H])[H])[H])OC
SPLASH splash10-03di-2239000000-02d44731864596a59412
Source of Spectrum K1-2004-2688-12
Synonyms (8S,9R,13R,14R,17R)-2-methoxy-13-methyl-17-vinyl-7,8,9,11,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-12-one
Wiley ID 1561044