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SCROBICULATONE-B;1-BENZOYL-8,8-DIMETHYL-5,7-BIS-(3-METHYLBUT-2-ENYL)-2,3-(2,2-DIMETHYLPYRAN-[5,6:3,2]-EXO-BICYCLO-[3.3.1]-NON-2-ENE-2,9-DIONE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

SCROBICULATONE-B;1-BENZOYL-8,8-DIMETHYL-5,7-BIS-(3-METHYLBUT-2-ENYL)-2,3-(2,2-DIMETHYLPYRAN-[5,6:3,2]-EXO-BICYCLO-[3.3.1]-NON-2-ENE-2,9-DIONE
SpectraBase Compound ID 5Vn37dlnBdz
InChI InChI=1S/C33H40O4/c1-21(2)14-15-24-20-32(19-16-22(3)4)27(35)25-17-18-30(5,6)37-28(25)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+/m0/s1
InChIKey XZRIJWPXNMBDQY-FELIMUHFSA-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 9eOucfDuIMv
Name Plukenetione F
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H40O4
InChI InChI=1S/C33H40O4/c1-21(2)14-15-24-20-32(19-16-22(3)4)27(35)25-17-18-30(5,6)37-28(25)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+/m0/s1
InChIKey XZRIJWPXNMBDQY-FELIMUHFSA-N
Molecular Weight 500.679 g/mol
SMILES [C@]12(C3=C(C=CC(O3)(C)C)C([C@](C1=O)(CC=C(C)C)C[C@@](C2(C)C)(CC=C(C)C)[H])=O)C(=O)c1ccccc1
SPLASH splash10-0aor-5616950000-84b68ccf992598ab7699
Source of Spectrum F-55-1595-6
Synonyms (1R,9S,11S)-1-benzoyl-4,4,12,12-tetramethyl-9,11-bis(3-methyl-2-butenyl)-3-oxatricyclo[7.3.1.0(2,7)]trideca-2(7),5-diene-8,13-dione
Wiley ID 836791