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 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
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 |