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1-(Furan-4'-yl)-8a-methyl-5-methylene-6-[4"-oxo-1",3",3"-trimethyl-2"-(methoxycarbonylmethyl)-cyclohexyl]-4a,6'-epoxy-(perhydro)-isobenzopyran-2-one

View entire compound with spectra: 1 MS (GC)

1-(Furan-4'-yl)-8a-methyl-5-methylene-6-[4"-oxo-1",3",3"-trimethyl-2"-(methoxycarbonyl<hydroxy>methyl)-cyclohexyl]-4a,6'-epoxy-(perhydro)-isobenzopyran-2-one
SpectraBase Compound ID K5W0muEt8EN
InChI InChI=1S/C27H34O8/c1-14-16-7-9-25(4)22(15-8-10-33-13-15)34-19(29)12-27(14,25)35-18-11-17(28)24(2,3)21(26(16,18)5)20(30)23(31)32-6/h8,10,13,16,18,20-22,30H,1,7,9,11-12H2,2-6H3/t16-,18+,20?,21+,22-,25+,26+,27-/m1/s1
InChIKey GOYZKWCPWBKPIG-KDZYTMRVSA-N
Mol Weight 486.6 g/mol
Molecular Formula C27H34O8
Exact Mass 486.225368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECSJbHlJznz
Name 1-(Furan-4'-yl)-8a-methyl-5-methylene-6-[4"-oxo-1",3",3"-trimethyl-2"-(methoxycarbonylmethyl)-cyclohexyl]-4a,6'-epoxy-(perhydro)-isobenzopyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34O8
InChI InChI=1S/C27H34O8/c1-14-16-7-9-25(4)22(15-8-10-33-13-15)34-19(29)12-27(14,25)35-18-11-17(28)24(2,3)21(26(16,18)5)20(30)23(31)32-6/h8,10,13,16,18,20-22,30H,1,7,9,11-12H2,2-6H3/t16-,18+,20?,21+,22-,25+,26+,27-/m1/s1
InChIKey GOYZKWCPWBKPIG-KDZYTMRVSA-N
Molecular Weight 486.561 g/mol
SMILES OC([C@@]1([C@@]2([C@@](O[C@@]34[C@]([C@](OC(C4)=O)(c4cocc4)[H])(CC[C@@]2(C3=C)[H])C)(CC(=O)C1(C)C)[H])C)[H])C(=O)OC
SPLASH splash10-052k-7900400000-1cd96d66ea22fb3ba1b5
Source of Spectrum G4-71-913-2
Synonyms 17-epi-methyl-6-hydroxy-angolensate
Wiley ID 1695003