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Plukenetione G
SpectraBase Compound ID 6AUPPvGk2zP
InChI InChI=1S/C33H40O4/c1-21(2)14-15-24-20-32(19-16-22(3)4)28-25(17-18-30(5,6)37-28)27(35)33(29(32)36,31(24,7)8)26(34)23-12-10-9-11-13-23/h9-14,16-18,24H,15,19-20H2,1-8H3/t24-,32-,33+/m1/s1
InChIKey XHNITESEQBZPTO-KFWOAIQGSA-N
Mol Weight 500.7 g/mol
Molecular Formula C33H40O4
Exact Mass 500.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANvBwy7aWWh
Name Plukenetione G
Alternate Name(s) (1R,9S,11R)-9-benzoyl-4,4,10,10-tetramethyl-1,11-bis(3-methyl-2-butenyl)-3-oxatricyclo[7.3.1.0(2,7)]trideca-2(7),5-diene-8,13-dione
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Formula C33H40O4
InChI InChI=1S/C33H40O4/c1-21(2)14-15-24-20-32(19-16-22(3)4)28-25(17-18-30(5,6)37-28)27(35)33(29(32)36,31(24,7)8)26(34)23-12-10-9-11-13-23/h9-14,16-18,24H,15,19-20H2,1-8H3/t24-,32-,33+/m1/s1
InChIKey XHNITESEQBZPTO-KFWOAIQGSA-N
Molecular Weight 500.679 g/mol
SMILES [C@]12(C([C@](CC=C(C)C)(C[C@](C2(C)C)(CC=C(C)C)[H])C2=C(C1=O)C=CC(C)(C)O2)=O)C(=O)c1ccccc1
SPLASH splash10-0aor-5913440000-092e9a180fb777c4c339
Source of Spectrum F-55-1595-7
Wiley ID 836790