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GARCINIELLIPTONE-I
SpectraBase Compound ID KCn7Ilrzdh1
InChI InChI=1S/C33H42O5/c1-20(2)14-15-23-19-32(17-16-21(3)4)28-24(18-25(38-28)31(7,8)37)27(35)33(29(32)36,30(23,5)6)26(34)22-12-10-9-11-13-22/h9-14,16,23,25,37H,15,17-19H2,1-8H3/t23-,25-,32+,33-/m1/s1
InChIKey PHBDYBJOGVFIQU-MZVKZUHYSA-N
Mol Weight 518.7 g/mol
Molecular Formula C33H42O5
Exact Mass 518.303224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6aAw75ZL4tQ
Name Garcinielliptone I [6-benzoyl-9,9-dimethyl-2,8-di(.gamma.,.gamma.-dimethylallyl)-3,4-(2.beta.-hydroxyisopropyldihydrofuran)-8.beta.-H-cis-bicyclo[3.3.1]nona-3-en-1,5-dione]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H42O5
InChI InChI=1S/C33H42O5/c1-20(2)14-15-23-19-32(17-16-21(3)4)28-24(18-25(38-28)31(7,8)37)27(35)33(29(32)36,30(23,5)6)26(34)22-12-10-9-11-13-22/h9-14,16,23,25,37H,15,17-19H2,1-8H3/t23-,25-,32+,33-/m1/s1
InChIKey PHBDYBJOGVFIQU-MZVKZUHYSA-N
Molecular Weight 518.694 g/mol
SMILES OC([C@]1(CC2=C(O1)[C@]1(C([C@@](C2=O)(C([C@@](C1)(CC=C(C)C)[H])(C)C)C(=O)c1ccccc1)=O)CC=C(C)C)[H])(C)C
SPLASH splash10-0a7i-0709200000-95afe5b97b48a86f1d1e
Source of Spectrum QF-9-5527-4
Wiley ID 1559018