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2H-2,4a-Ethanophenanthren-3(4H)-one, 1,9,10,10a-tetrahydro-7-methoxy-2-methyl-, (2.alpha.,4a.alpha.,10a.alpha.)-(.+-.)-
SpectraBase Compound ID 3NNlrwncbRd
InChI InChI=1S/C18H22O2/c1-11-13-7-8-18(10-13)15-6-4-14(20-2)9-12(15)3-5-16(18)17(11)19/h4,6,9,11,13,16H,3,5,7-8,10H2,1-2H3/t11?,13-,16?,18+/m1/s1
InChIKey QEOLEOKPOPEEDF-HSJUDTTDSA-N
Mol Weight 270.37 g/mol
Molecular Formula C18H22O2
Exact Mass 270.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2nQ4yzextn
Name 2H-2,4a-Ethanophenanthren-3(4H)-one, 1,9,10,10a-tetrahydro-7-methoxy-2-methyl-, (2.alpha.,4a.alpha.,10a.alpha.)-(.+-.)-
CAS Registry Number 94840-94-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O2
InChI InChI=1S/C18H22O2/c1-11-13-7-8-18(10-13)15-6-4-14(20-2)9-12(15)3-5-16(18)17(11)19/h4,6,9,11,13,16H,3,5,7-8,10H2,1-2H3/t11?,13-,16?,18+/m1/s1
InChIKey QEOLEOKPOPEEDF-HSJUDTTDSA-N
Molecular Weight 270.372 g/mol
SMILES [C@@]123C(C(=O)C([C@@](C3)(CC1)[H])C)CCc1c2ccc(OC)c1
SPLASH splash10-0079-0890000000-5ef30be723305c5ddba6
Source of Spectrum J-50-860-12
Synonyms 7-Methoxy-2-methyl-1(H),2,3,4,4a,9,10,10a-octahydro-3.beta.,4a.beta.-ethanophenanthren-1-one (1R,13R)-5-methoxy-12-methyltetracyclo[11.2.1.0(1,10).0(2,7)]hexadeca-2,4,6-trien-11-one 2.beta.-methyl-7-methoxy-11-oxo-1,2,3,4,4a,9,10,10a.beta.-octahydro-2.alpha.,4a.alpha.-ethanophenanthrene
Wiley ID 1274795