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GARCINIELLIPTONE_FB;8,8-DIMETHYL-1-(3,4-DIHYDROXYBENZOYL)-3,4-[2-BETA-(2-HYDROXYISOPROPYL)-2,3-DIHYDROFURANO]-5-(GAMMA,GAMMA-DIMETHYLALLYL)-7-(2-
SpectraBase Compound ID GfgS6roZsGV
InChI InChI=1S/C38H50O7/c1-21(2)11-12-24(23(5)6)17-26-20-37(16-15-22(3)4)33-27(19-30(45-33)36(9,10)44)32(42)38(34(37)43,35(26,7)8)31(41)25-13-14-28(39)29(40)18-25/h13-15,18,24,26,30,39-40,44H,1,5,11-12,16-17,19-20H2,2-4,6-10H3/t24-,26+,30+,37-,38+/m0/s1
InChIKey VFFHZZBYMYASGN-ITQIFJTGSA-N
Mol Weight 618.8 g/mol
Molecular Formula C38H50O7
Exact Mass 618.355654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9UzJzq6dua2
Name 8,8-dimethyl-1-(3,4-dihydroxybenzoyl)-3,4-[2.beta.-(2-hydroxyisopropyl)-2,3-dihydrofurano]-5-(.gamma.,.gamma.-dimethylallyl)-7-(2-isopropenylhex-5-enyl)-7.beta.-H-cis-bicyclo[3,3,1]nona-3-en-2,9-dione
Appearance Yellow oil
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Formula C38H50O7
InChI InChI=1S/C38H50O7/c1-21(2)11-12-24(23(5)6)17-26-20-37(16-15-22(3)4)33-27(19-30(45-33)36(9,10)44)32(42)38(34(37)43,35(26,7)8)31(41)25-13-14-28(39)29(40)18-25/h13-15,18,24,26,30,39-40,44H,1,5,11-12,16-17,19-20H2,2-4,6-10H3/t24-,26+,30+,37-,38+/m0/s1
InChIKey VFFHZZBYMYASGN-ITQIFJTGSA-N
Instrument Name JMS-HX100
Ionization Type EI
Literature Reference DOI 10.1021/np050084v
Molecular Weight 618.811 g/mol
Optical Rotation [a]D25 = -66 (c = 0.175, CHCl3)
Reported Formula C38H50O7
SMILES Oc1cc(ccc1O)C([C@]12C(C3=C([C@@](C2=O)(C[C@](C1(C)C)(C[C@](CCC(=C)C)(C(C)=C)[H])[H])CC=C(C)C)O[C@](C3)(C(O)(C)C)[H])=O)=O
SPLASH splash10-014i-9004000000-b1c8fee92d1d6a7218c5
Source of Spectrum G4-68-1127-2
Synonyms Garcinielliptone FB
Wiley ID 1879589