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(8R,12S,13R)-12,13-Epoxyparvifoline benzoate
SpectraBase Compound ID IVRY4RU5T1b
InChI InChI=1S/C22H24O3/c1-14-9-10-20-22(3,25-20)13-17-11-15(2)19(12-18(14)17)24-21(23)16-7-5-4-6-8-16/h4-8,11-12,14,20H,9-10,13H2,1-3H3/t14-,20+,22-/m1/s1
InChIKey XMHJPUNKSMAZJZ-VQUVXCFPSA-N
Mol Weight 336.43 g/mol
Molecular Formula C22H24O3
Exact Mass 336.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAxKxk4OOeE
Name (8R,12S,13R)-12,13-Epoxyparvifoline benzoate
Appearance White prisms
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O3
InChI InChI=1S/C22H24O3/c1-14-9-10-20-22(3,25-20)13-17-11-15(2)19(12-18(14)17)24-21(23)16-7-5-4-6-8-16/h4-8,11-12,14,20H,9-10,13H2,1-3H3/t14-,20+,22-/m1/s1
InChIKey XMHJPUNKSMAZJZ-VQUVXCFPSA-N
Instrument Name Varian Saturn 2000 GC-MS
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.8b00860
Molecular Weight 336.431 g/mol
Reported Formula C22H24O3
SMILES c1(OC(c2ccccc2)=O)c(C)cc2C[C@]3(O[C@]3(CC[C@@](C)(c2c1)[H])[H])C
SPLASH splash10-0a4i-2901000000-9791eb5f49db8454bdb6
Source of Spectrum G4-82-847-6
Wiley ID 1867671