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(8R,12S,13R)-8,12-Oxyparvifoline Benzoate
SpectraBase Compound ID EbgKzQwBPNE
InChI InChI=1S/C22H24O3/c1-14-11-17-12-15(2)20(24-21(23)16-7-5-4-6-8-16)13-18(17)22(3)10-9-19(14)25-22/h4-8,12-14,19H,9-11H2,1-3H3/t14-,19+,22-/m1/s1
InChIKey MNQDZBFXSREZSZ-YFYZNPQRSA-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 CWVBI7HsIvU
Name (8R,12S,13R)-8,12-Oxyparvifoline Benzoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O3
InChI InChI=1S/C22H24O3/c1-14-11-17-12-15(2)20(24-21(23)16-7-5-4-6-8-16)13-18(17)22(3)10-9-19(14)25-22/h4-8,12-14,19H,9-11H2,1-3H3/t14-,19+,22-/m1/s1
InChIKey MNQDZBFXSREZSZ-YFYZNPQRSA-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@@](C)([C@]3(O[C@@](C)(c2c1)CC3)[H])[H]
SPLASH splash10-0a4i-2900000000-bf7fed16a9cf62606a0a
Source of Spectrum G4-82-847-10
Wiley ID 1867667