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(2E)-2-[(8S,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]acetaldehyde
SpectraBase Compound ID EONhxHERzma
InChI InChI=1S/C21H26O2/c1-21-11-9-18-17-7-5-16(23-2)13-14(17)3-6-19(18)20(21)8-4-15(21)10-12-22/h5,7,10,12-13,18-20H,3-4,6,8-9,11H2,1-2H3/b15-10+/t18-,19-,20+,21-/m1/s1
InChIKey HHWUBMNZRKHECZ-KBNHTIGASA-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 H3D2hQo6wuh
Name (2E)-2-[(8S,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]acetaldehyde
Alternate Name(s) (2E)-2-[(8S,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]ethanal
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Formula C21H26O2
InChI InChI=1S/C21H26O2/c1-21-11-9-18-17-7-5-16(23-2)13-14(17)3-6-19(18)20(21)8-4-15(21)10-12-22/h5,7,10,12-13,18-20H,3-4,6,8-9,11H2,1-2H3/b15-10+/t18-,19-,20+,21-/m1/s1
InChIKey HHWUBMNZRKHECZ-KBNHTIGASA-N
Molecular Weight 310.437 g/mol
SMILES [C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4)[H])(CC\C1=C\C=O)[H])C
SPLASH splash10-03dl-8119000000-64fe54608f05f448a360
Source of Spectrum U-1993-1102-5
Wiley ID 765324