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Plukenetione F
SpectraBase Compound ID IREAzsT5prQ
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+/m1/s1
InChIKey XZRIJWPXNMBDQY-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 9H98wh9G2tV
Name Plukenetione F
Appearance Oil
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+/m1/s1
InChIKey XZRIJWPXNMBDQY-KFWOAIQGSA-N
Instrument Name Micromass VG 70-250S
Ionization Type EI
Literature Reference DOI 10.1021/np000321o
Molecular Weight 500.679 g/mol
Reported Formula C33H40O4
SMILES c1cc(ccc1)C([C@]12C=3OC(C=CC3C([C@](C1=O)(C[C@](C2(C)C)(CC=C(C)C)[H])CC=C(C)C)=O)(C)C)=O
SPLASH splash10-0aor-3426910000-ef625cc320aea9cea005
Source of Spectrum G4-64-SM2-4
Wiley ID 1882789