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GARCINIELLIPTONE-L;9,9-DIMETHYL-6-ALPHA,8-BETA-DI-(GAMMA,GAMMA-DIMETHYLALLYL)-3,4-[2-BETA-(2'-HYDROXYISOPROPYL)-2,3-DIHYDROFURAN]-2-ALPHA-(1-OXO-2-
SpectraBase Compound ID 82pdzKi6v2A
InChI InChI=1S/C30H44O5/c1-17(2)11-12-20-16-29(23(31)19(5)6)25-21(15-22(35-25)28(9,10)34)24(32)30(26(29)33,27(20,7)8)14-13-18(3)4/h11,13,19-20,22,34H,12,14-16H2,1-10H3/t20-,22+,29+,30+/m0/s1
InChIKey VSDIWXQPEDKOLG-JXJYVRBQSA-N
Mol Weight 484.7 g/mol
Molecular Formula C30H44O5
Exact Mass 484.318875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Y8jO75B2dP
Name 9,9-dimethyl-6.alpha.,8.beta.-di(.gamma.,.gamma.-dimethylallyl)-3,4-[2.beta.-(2'-hydroxyisopropyl)-2,3-dihydrofuran]-2.alpha.-(1-oxo-2-methylpropyl)-8.alpha.-H-cis-bicyclo[3.3.1]nona-1,5-dione
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H44O5
InChI InChI=1S/C30H44O5/c1-17(2)11-12-20-16-29(23(31)19(5)6)25-21(15-22(35-25)28(9,10)34)24(32)30(26(29)33,27(20,7)8)14-13-18(3)4/h11,13,19-20,22,34H,12,14-16H2,1-10H3/t20-,22+,29+,30+/m0/s1
InChIKey VSDIWXQPEDKOLG-JXJYVRBQSA-N
Instrument Name JMS-HX100
Ionization Type EI
Literature Reference DOI 10.1021/np049811x
Molecular Weight 484.677 g/mol
Optical Rotation [a]D = -41 (c = 0.29, CHCl3)
Reported Formula C30H44O5
SMILES OC([C@@]1(OC=2[C@@]3(C(C(C)C)=O)C([C@@](C(C2C1)=O)(C([C@](C3)(CC=C(C)C)[H])(C)C)CC=C(C)C)=O)[H])(C)C
SPLASH splash10-006y-0069300000-44bab0bf8c9542b45a82
Source of Spectrum G4-67-1799-2
Synonyms Garcinielliptone L
Wiley ID 1881590