Sibiricose A1

enlarge

Systematic / IUPAC Name: β-D-Fructofuranosyl 6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-α-D-glucopyranoside

ID: Reference8086

Other Names: {(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl}methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Formula: C23H32O15

Spectral Data

Sibiricose A1 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 6/29/2018 6:09:48 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H32O15/c1-33-11-5-10(6-12(34-2)16(11)27)3-4-15(26)35-8-14-17(28)19(30)20(31)22(36-14)38-23(9-25)21(32)18(29)13(7-24)37-23/h3-6,13-14,17-22,24-25,27-32H,7-9H2,1-2H3/b4-3+/t13-,14-,17-,18-,19+,20-,21+,22-,23+/m1/s1
InChI Key DJBWDHVUJCXYBH-IBVGEFGBSA-N
Canonical SMILES COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O
CAS
Splash
Other Names {(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl}methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

In Other Databases

ChemSpider 4885191
PubChem 6326016