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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
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BiUDDf4Uqld
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
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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])CCc1c(oc(c1)\C=C\c1ccccc1)\C=C\c1ccccc1)C
SPLASH splash10-002r-1940000000-911aa752d6631df710a7
Source of Spectrum O1-47-604-3
Wiley ID 1669449