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4a(R*),5(R*),11a(R*)-5-Acetoxy-7-methoxy-1,1,8-trimethyl-1,2,3,4,4a,10,11,11a-octahydro-5H-dibenzo[a,d]cyclohepten-10-one

View entire compound with spectra: 1 MS (GC)

4a(R*),5(R*),11a(R*)-5-Acetoxy-7-methoxy-1,1,8-trimethyl-1,2,3,4,4a,10,11,11a-octahydro-5H-dibenzo[a,d]cyclohepten-10-one
SpectraBase Compound ID Fi7NUyZz5W1
InChI InChI=1S/C21H28O4/c1-12-9-15-16(10-19(12)24-5)20(25-13(2)22)14-7-6-8-21(3,4)17(14)11-18(15)23/h9-10,14,17,20H,6-8,11H2,1-5H3/t14-,17-,20-/m1/s1
InChIKey GCUCVEKQSDVQHS-WIBUTAKZSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JR6uBR2Btwl
Name 4a(R*),5(R*),11a(R*)-5-Acetoxy-7-methoxy-1,1,8-trimethyl-1,2,3,4,4a,10,11,11a-octahydro-5H-dibenzo[a,d]cyclohepten-10-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-12-9-15-16(10-19(12)24-5)20(25-13(2)22)14-7-6-8-21(3,4)17(14)11-18(15)23/h9-10,14,17,20H,6-8,11H2,1-5H3/t14-,17-,20-/m1/s1
InChIKey GCUCVEKQSDVQHS-WIBUTAKZSA-N
Molecular Weight 344.451 g/mol
SMILES c12[C@@]([C@]3([C@@](C(C)(C)CCC3)([H])CC(c1cc(c(c2)OC)C)=O)[H])(OC(=O)C)[H]
SPLASH splash10-0006-9114000000-430e80970018ffbc6de4
Source of Spectrum J-61-8184-68
Synonyms (4aR,5R,11aR)-7-methoxy-1,1,8-trimethyl-10-oxo-2,3,4,4a,5,10,11,11a-octahydro-1H-dibenzo[a,d]cyclohepten-5-yl acetate
Wiley ID 1338145