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OPHIOPOGONANONE-D;5-METHOXY-6-METHYL-7-HYDROXY-8-ALDEHYDO-3-(3',4'-METHYLENEDIOXYBENZYL)-CHROMAN-4-ONE
SpectraBase Compound ID IJRUZhsuUYv
InChI InChI=1S/C20H18O7/c1-10-17(22)13(7-21)20-16(19(10)24-2)18(23)12(8-25-20)5-11-3-4-14-15(6-11)27-9-26-14/h3-4,6-7,12,22H,5,8-9H2,1-2H3
InChIKey QPCIWGFEBZQOQN-UHFFFAOYSA-N
Mol Weight 370.36 g/mol
Molecular Formula C20H18O7
Exact Mass 370.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6x8xP1YHZzh
Name 5-methoxy-6-methyl-7-hydroxy-8-aldehydo-3-(3',4'-methylenedioxybenzyl)chroman-4-one
Alternate Name(s) Ophiopogonanone D
Appearance Yellow glue-like solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O7
InChI InChI=1S/C20H18O7/c1-10-17(22)13(7-21)20-16(19(10)24-2)18(23)12(8-25-20)5-11-3-4-14-15(6-11)27-9-26-14/h3-4,6-7,12,22H,5,8-9H2,1-2H3
InChIKey QPCIWGFEBZQOQN-UHFFFAOYSA-N
Instrument Name Finnigan MAT GCQ
Ionization Type EI
Literature Reference DOI 10.1021/np020204o
Molecular Weight 370.357 g/mol
Optical Rotation [a]D20 = -10.0 (c = 0.2, MeOH)
Reported Formula C20H18O7
SMILES Oc1c(c2c(c(c1C)OC)C(C(CO2)Cc1ccc2c(c1)OCO2)=O)C=O
SPLASH splash10-05g0-0948000000-8b8e1769c03691c0bb5c
Source of Spectrum G4-65-1733-2
Wiley ID 1883491