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Pachyrrhizone

View entire compound with spectra: 1 MS (GC)

Pachyrrhizone
SpectraBase Compound ID Hf5i3fSHPeq
InChI InChI=1S/C20H14O7/c1-22-20-18-9(2-3-23-18)4-11-17(21)16-10-5-13-14(26-8-25-13)6-12(10)24-7-15(16)27-19(11)20/h2-6,15-16H,7-8H2,1H3
InChIKey RZZBXVGBWLOHHV-UHFFFAOYSA-N
Mol Weight 366.33 g/mol
Molecular Formula C20H14O7
Exact Mass 366.073953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5LYf528Cvh
Name Pachyrrhizone
CAS Registry Number 42485-00-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14O7
InChI InChI=1S/C20H14O7/c1-22-20-18-9(2-3-23-18)4-11-17(21)16-10-5-13-14(26-8-25-13)6-12(10)24-7-15(16)27-19(11)20/h2-6,15-16H,7-8H2,1H3
InChIKey RZZBXVGBWLOHHV-UHFFFAOYSA-N
Molecular Weight 366.325 g/mol
SMILES COc1c2c(cco2)cc2c1OC1COc3cc4c(cc3C1C2=O)OCO4
SPLASH splash10-004i-0901000000-0e0ad887ae55d772153f
Source of Spectrum CD-345-0-0
Wiley ID 1351905