Systematic / IUPAC Name: 3-Hydroxy-2-methyl-4-[(7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-2-butanyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside
ID: Reference7397
Other Names: 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[2-hydroxy-3-methyl-3-({6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl}oxy)butoxy]-
Formula: C27H34O15
3-Hydroxy-2-methyl-4-[(7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-2-butanyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 3 |
No. of Spectra | 3386 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 2/13/2018 12:15:45 PM |
InChI | InChI=1S/C27H34O15/c1-26(2,17(29)9-37-22-12-3-4-18(30)40-15(12)7-14-13(22)5-6-36-14)42-24-21(33)20(32)19(31)16(41-24)8-38-25-23(34)27(35,10-28)11-39-25/h3-7,16-17,19-21,23-25,28-29,31-35H,8-11H2,1-2H3/t16-,17?,19-,20+,21-,23+,24+,25-,27-/m1/s1 |
InChI Key | WHICJDPSYBJDEN-NQXQTLPHSA-N |
Canonical SMILES | CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)OC4C(C(C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)O |
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Other Names | 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[2-hydroxy-3-methyl-3-({6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl}oxy)butoxy]- |