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

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

Methyl (1S,4aS,8aR)-5-(2-{2,5-bis[(E)-styryl]-furan-3-yl}ethyl)-1,4a,6-trimethyl-1,2,3,4,4a,7,8,8aoctahydronaphthalene-1-carboxylate
SpectraBase Compound ID 3lyOUyE9Nm5
InChI InChI=1S/C37H42O3/c1-27-16-23-34-36(2,24-11-25-37(34,3)35(38)39-4)32(27)21-19-30-26-31(20-17-28-12-7-5-8-13-28)40-33(30)22-18-29-14-9-6-10-15-29/h5-10,12-15,17-18,20,22,26,34H,11,16,19,21,23-25H2,1-4H3/b20-17+,22-18+/t34-,36-,37+/m1/s1
InChIKey QVUBQRPWJXDELD-GOLRWBJNSA-N
Mol Weight 534.7 g/mol
Molecular Formula C37H42O3
Exact Mass 534.313395 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IJE19q3zyQT
Name Methyl (1S,4as,8ar)-5-(2-{2,5-bis[(E)-styryl]-furan-3-yl}ethyl)-1,4A,6-trimethyl-1,2,3,4,4A,7,8,8aoctahydronaphthalene-1-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 534.313395209 u
Formula C37H42O3
InChI InChI=1S/C37H42O3/c1-27-16-23-34-36(2,24-11-25-37(34,3)35(38)39-4)32(27)21-19-30-26-31(20-17-28-12-7-5-8-13-28)40-33(30)22-18-29-14-9-6-10-15-29/h5-10,12-15,17-18,20,22,26,34H,11,16,19,21,23-25H2,1-4H3/b20-17+,22-18+/t34-,36-,37+/m1/s1
InChIKey QVUBQRPWJXDELD-GOLRWBJNSA-N
Molecular Weight 534.740 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=1C=CC=CC1)\C=C\C=1C=CC=CC1)C