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(3R,3aS,6S,7R,7aR)-7a-[(2E,4E)-6-methoxy-6-methylhepta-2,4-dien-2-yl]-3,6,7-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one

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(3R,3aS,6S,7R,7aR)-7a-[(2E,4E)-6-methoxy-6-methylhepta-2,4-dien-2-yl]-3,6,7-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
SpectraBase Compound ID K5aeK9YtTEj
InChI InChI=1S/C21H34O2/c1-14-10-12-21(16(3)9-8-11-20(5,6)23-7)17(4)15(2)13-18(22)19(14)21/h8-9,11,14-15,17,19H,10,12-13H2,1-7H3/b11-8+,16-9+/t14-,15+,17-,19-,21-/m1/s1
InChIKey AAWCMLASFGRWPE-MXUVSQIGSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4vUTZFN7vdz
Name (3R,3aS,6S,7R,7aR)-7a-[(2E,4E)-6-methoxy-6-methylhepta-2,4-dien-2-yl]-3,6,7-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-14-10-12-21(16(3)9-8-11-20(5,6)23-7)17(4)15(2)13-18(22)19(14)21/h8-9,11,14-15,17,19H,10,12-13H2,1-7H3/b11-8+,16-9+/t14-,15+,17-,19-,21-/m1/s1
InChIKey AAWCMLASFGRWPE-MXUVSQIGSA-N
Literature Reference Author F.NAGASHIMA,Y.MURAKAMI,Y.ASAKAWA
Literature Reference Citation CHEM.PHARM.BULL.,47,138(1999)
Literature Reference DOI 10.1248/cpb.47.138
Molecular Weight 318.500 g/mol
Solvent CDCl3
Source File Reference UWLU7798