Bavachinin

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Systematic / IUPAC Name: (2S)-2-(4-Hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

ID: Reference7648

Other Names: Bavachinin A;
7-O-Methylbavachin;
(2S)-2-(4-Hydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-one

Formula: C21H22O4

Spectral Data

Bavachinin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/27/2018 1:14:49 PM
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Identificators

InChI InChI=1S/C21H22O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-10,12,20,22H,5,11H2,1-3H3/t20-/m0/s1
InChI Key VOCGSQHKPZSIKB-FQEVSTJZSA-N
Canonical SMILES CC(=CCC1=C(C=C2C(=C1)C(=O)CC(O2)C3=CC=C(C=C3)O)OC)C
CAS 19879302
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Other Names Bavachinin A;
7-O-Methylbavachin;
(2S)-2-(4-Hydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-one

In Other Databases

ChemSpider 8512670
ChEMBL CHEMBL1551302
PubChem 10337211