For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Methyl (1S,4aS,8aR)-5-(2-{2,5-bis[(E)-3-methoxy-3-oxoprop-1-en-1-yl]furan-3-yl}ethyl)-1,4a,6-trimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene-1-carboxylate

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

Methyl (1S,4aS,8aR)-5-(2-{2,5-bis[(E)-3-methoxy-3-oxoprop-1-en-1-yl]furan-3-yl}ethyl)-1,4a,6-trimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene-1-carboxylate
SpectraBase Compound ID EnRMmbn2Zje
InChI InChI=1S/C29H38O7/c1-19-8-13-24-28(2,16-7-17-29(24,3)27(32)35-6)22(19)11-9-20-18-21(10-14-25(30)33-4)36-23(20)12-15-26(31)34-5/h10,12,14-15,18,24H,7-9,11,13,16-17H2,1-6H3/b14-10+,15-12+/t24-,28-,29+/m1/s1
InChIKey LKHDZKAQSQUUCA-TYBMSMDRSA-N
Mol Weight 498.6 g/mol
Molecular Formula C29H38O7
Exact Mass 498.261754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4WmmwsqR9vQ
Name Methyl (1S,4as,8ar)-5-(2-{2,5-bis[(E)-3-methoxy-3-oxoprop-1-en-1-yl]furan-3-yl}ethyl)-1,4A,6-trimethyl-1,2,3,4,4A,7,8,8A-octahydronaphthalene-1-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.261753557 u
Formula C29H38O7
InChI InChI=1S/C29H38O7/c1-19-8-13-24-28(2,16-7-17-29(24,3)27(32)35-6)22(19)11-9-20-18-21(10-14-25(30)33-4)36-23(20)12-15-26(31)34-5/h10,12,14-15,18,24H,7-9,11,13,16-17H2,1-6H3/b14-10+,15-12+/t24-,28-,29+/m1/s1
InChIKey LKHDZKAQSQUUCA-TYBMSMDRSA-N
Molecular Weight 498.616 g/mol
SMILES [C@@]12(C(=C(C)CC[C@]2([C@](C(=O)OC)(C)CCC1)[H])CCC1=C(OC(=C1)\C=C\C(=O)OC)\C=C\C(=O)OC)C