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3-Methoxy-17-methyleneestra-1,3,5(10)-triene
SpectraBase Compound ID LCTcXRwN1Zy
InChI InChI=1S/C20H26O/c1-13-4-9-19-18-7-5-14-12-15(21-3)6-8-16(14)17(18)10-11-20(13,19)2/h6,8,12,17-19H,1,4-5,7,9-11H2,2-3H3/t17-,18-,19+,20-/m1/s1
InChIKey APWQGXSRKGAGES-YSTOQKLRSA-N
Mol Weight 282.43 g/mol
Molecular Formula C20H26O
Exact Mass 282.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62z9IZqhFb4
Name 3-Methoxy-17-methylen-estra-1,3,5(10)-triene
Alternate Name(s) (8S,9S,13S,14S)-3-methoxy-13-methyl-17-methylene-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene
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Formula C20H26O
InChI InChI=1S/C20H26O/c1-13-4-9-19-18-7-5-14-12-15(21-3)6-8-16(14)17(18)10-11-20(13,19)2/h6,8,12,17-19H,1,4-5,7,9-11H2,2-3H3/t17-,18-,19+,20-/m1/s1
InChIKey APWQGXSRKGAGES-YSTOQKLRSA-N
Molecular Weight 282.427 g/mol
SMILES c1(ccc2[C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CCc2c1)[H])[H])=C)C)[H])OC
SPLASH splash10-001i-0390000000-bbca7e4fa0b8a12d3341
Source of Spectrum H-81-2269-10
Wiley ID 1787467