Albiflorin-3

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Systematic / IUPAC Name: 8-(2-Hydroxy-1-methoxy-3-methyl-3-buten-1-yl)-7-methoxy-2H-chromen-2-one

ID: Reference8021

Other Names: 7-Methoxy-8-(1'-methoxy-2'-hydroxy-3-methyl-3'-butenyl)coumarin;
2H-1-Benzopyran-2-one, 8-(2-hydroxy-1-methoxy-3-methyl-3-buten-1-yl)-7-methoxy-

Formula: C16H18O5

Spectral Data

Albiflorin-3 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 3407
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/1/2018 10:32:50 AM
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Identificators

InChI InChI=1S/C16H18O5/c1-9(2)14(18)16(20-4)13-11(19-3)7-5-10-6-8-12(17)21-15(10)13/h5-8,14,16,18H,1H2,2-4H3
InChI Key DBPWCIPDCMVUFT-UHFFFAOYSA-N
Canonical SMILES CC(=C)C(C(C1=C(C=CC2=C1OC(=O)C=C2)OC)OC)O
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Other Names 7-Methoxy-8-(1'-methoxy-2'-hydroxy-3-methyl-3'-butenyl)coumarin;
2H-1-Benzopyran-2-one, 8-(2-hydroxy-1-methoxy-3-methyl-3-buten-1-yl)-7-methoxy-

In Other Databases

ChemSpider 4477756
PubChem 5319464