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METHYL-12-OXO-13-OXATOTARA-7,9(11)-DIENE-14-BETA-CARBOXYLATE
SpectraBase Compound ID 725OIaUpmfW
InChI InChI=1S/C21H30O4/c1-13(2)21(18(23)24-6)14-8-9-16-19(3,4)10-7-11-20(16,5)15(14)12-17(22)25-21/h8,12-13,16H,7,9-11H2,1-6H3/t16-,20+,21+/m0/s1
InChIKey OIDVOXGAFBMJFM-ZLGUVYLKSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GhPzI3QMG8c
Name (4R,6aS,10aS)-4-isopropyl-2-keto-7,7,10a-trimethyl-6a,8,9,10-tetrahydro-6H-benz[f]isochromene-4-carboxylic acid methyl ester
Alternate Name(s) (4R,6aS,10aS)-7,7,10a-trimethyl-2-oxo-4-propan-2-yl-6a,8,9,10-tetrahydro-6H-benzo[f][2]benzopyran-4-carboxylic acid methyl ester Methyl (4R,6aS,10aS)-4-isopropyl-7,7,10a-trimethyl-2-oxo-6a,8,9,10-tetrahydro-6H-benzo[f]isochromene-4-carboxylate Methyl (4R,6aS,10aS)-7,7,10a-trimethyl-2-oxidanylidene-4-propan-2-yl-6a,8,9,10-tetrahydro-6H-benzo[f]isochromene-4-carboxylate Methyl (4R,6aS,10aS)-7,7,10a-trimethyl-2-oxo-4-propan-2-yl-6a,8,9,10-tetrahydro-6H-benzo[f]isochromene-4-carboxylate
CAS Registry Number 122553-03-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-13(2)21(18(23)24-6)14-8-9-16-19(3,4)10-7-11-20(16,5)15(14)12-17(22)25-21/h8,12-13,16H,7,9-11H2,1-6H3/t16-,20+,21+/m0/s1
InChIKey OIDVOXGAFBMJFM-ZLGUVYLKSA-N
Molecular Weight 346.467 g/mol
SMILES C1=2C([C@]3(CCCC([C@@]3(CC2)[H])(C)C)C)=CC(O[C@]1(C(=O)OC)C(C)C)=O
SPLASH splash10-000f-9042000000-c3287781f4631c7a285d
Source of Spectrum B-41-1186-12
Wiley ID 1339498