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(+-)-5a.beta.,8,8,11a.beta.-tetramethyl-3.alpha.-(2-propenyl)-7a.alpha.H,11b.alpha.H-tetradecahydronaphth[2,1-b]oxepin-4-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(+-)-5a.beta.,8,8,11a.beta.-tetramethyl-3.alpha.-(2-propenyl)-7a.alpha.H,11b.alpha.H-tetradecahydronaphth[2,1-b]oxepin-4-one
SpectraBase Compound ID I7HQHNAVpg0
InChI InChI=1S/C21H34O2/c1-6-8-15-9-10-17-20(4)13-7-12-19(2,3)16(20)11-14-21(17,5)23-18(15)22/h6,15-17H,1,7-14H2,2-5H3/t15-,16?,17?,20-,21+/m1/s1
InChIKey GZDOQNMLQBKKKU-AISDFVBMSA-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 BQH15QxJVN2
Name (+-)-5A.beta.,8,8,11A.beta.-tetramethyl-3.alpha.-(2-propenyl)-7A.alpha.H,11B.alpha.H-tetradecahydronaphth[2,1-B]oxepin-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.255880333 u
Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-6-8-15-9-10-17-20(4)13-7-12-19(2,3)16(20)11-14-21(17,5)23-18(15)22/h6,15-17H,1,7-14H2,2-5H3/t15-,16?,17?,20-,21+/m1/s1
InChIKey GZDOQNMLQBKKKU-AISDFVBMSA-N
Molecular Weight 318.501 g/mol
SMILES [C@@]12(C3[C@](OC(=O)[C@@](CC3)(CC=C)[H])(C)CCC1C(C)(C)CCC2)C