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Toxicarol

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

Toxicarol
SpectraBase Compound ID ETWqJKl0AUh
InChI InChI=1S/C23H22O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,18-19,24H,10H2,1-4H3
InChIKey JLTNCZQNGBLBGO-UHFFFAOYSA-N
Mol Weight 410.42 g/mol
Molecular Formula C23H22O7
Exact Mass 410.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHtIxHhnsL0
Name Toxicarol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22O7
InChI InChI=1S/C23H22O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,18-19,24H,10H2,1-4H3
InChIKey JLTNCZQNGBLBGO-UHFFFAOYSA-N
Molecular Weight 410.422 g/mol
SMILES Oc1c2c(OC3C(C2=O)c2c(cc(c(c2)OC)OC)OC3)c2C=CC(Oc2c1)(C)C
SPLASH splash10-0006-0910100000-2e5c49dd3ace2bedff60
Source of Spectrum CD-347-0-0
Wiley ID 1373651