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[3S-(3a.alpha.,3a.alpha.,5a.beta.,9b.beta.)]-3a,5,5a,9b-Tetrahydro-8-(prop-2-en-1-yl)oxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one

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[3S-(3a.alpha.,3a.alpha.,5a.beta.,9b.beta.)]-3a,5,5a,9b-Tetrahydro-8-(prop-2-en-1-yl)oxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
SpectraBase Compound ID 7WqCbiWtiSE
InChI InChI=1S/C18H22O3/c1-5-8-20-15-9-10(2)13-6-7-14-11(3)18(19)21-17(14)16(13)12(15)4/h5,9,11,14,17H,1,6-8H2,2-4H3/t11-,14?,17-/m0/s1
InChIKey DGVFGXMYXITKCO-ZHGNSCJRSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IOYpFtR9uib
Name [3S-(3A.alpha.,3A.alpha.,5A.beta.,9B.beta.)]-3A,5,5A,9B-tetrahydro-8-(prop-2-en-1-yl)oxy-3,5A,9-trimethylnaphtho[1,2-B]furan-2(3H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.156894565 u
Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-5-8-20-15-9-10(2)13-6-7-14-11(3)18(19)21-17(14)16(13)12(15)4/h5,9,11,14,17H,1,6-8H2,2-4H3/t11-,14?,17-/m0/s1
InChIKey DGVFGXMYXITKCO-ZHGNSCJRSA-N
SMILES [C@]12(C3=C(C(C)=CC(=C3C)OCC=C)CCC1[C@](C)(C(O2)=O)[H])[H]