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(8S,9S,13R,14S,17R)-17-ethenyl-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-4-ol
SpectraBase Compound ID 4LAuq3SUpds
InChI InChI=1S/C21H28O2/c1-4-13-5-9-18-16-6-7-17-14(8-10-19(23-3)20(17)22)15(16)11-12-21(13,18)2/h4,8,10,13,15-16,18,22H,1,5-7,9,11-12H2,2-3H3/t13-,15+,16+,18-,21+/m0/s1
InChIKey DUFVEGURRGSTEX-AIFHZEHESA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lc2eEKa7Prz
Name (8S,9S,13R,14S,17R)-17-ethenyl-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-4-ol
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Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-4-13-5-9-18-16-6-7-17-14(8-10-19(23-3)20(17)22)15(16)11-12-21(13,18)2/h4,8,10,13,15-16,18,22H,1,5-7,9,11-12H2,2-3H3/t13-,15+,16+,18-,21+/m0/s1
InChIKey DUFVEGURRGSTEX-AIFHZEHESA-N
Molecular Weight 312.453 g/mol
SMILES Oc1c2c([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4(C=C)[H])[H])C)[H])ccc1OC
SPLASH splash10-01ox-1397000000-9d0b4b7056790c18d24e
Source of Spectrum B-38-572-8
Synonyms (8S,9S,13R,14S,17R)-3-methoxy-13-methyl-17-vinyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-4-ol
Wiley ID 1313890