4H-1-Benzopyran-4-one, 3-[[6-deoxy-2-O-[6-O-[3-[4-(β-D-glucopyranosyloxy)phenyl]-1-oxo-2-propenyl]-β-D-glucopyranosyl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (E)-
CAS Registry Number®
142997-34-0
CAS Name
4H-1-Benzopyran-4-one, 3-[[6-deoxy-2-O-[6-O-[3-[4-(β-D-glucopyranosyloxy)phenyl]-1-oxo-2-propenyl]-β-D-glucopyranosyl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (E)-Molecular Formula
C42H46O22Molecular Mass
902.80Cite this Page
4H-1-Benzopyran-4-one, 3-[[6-deoxy-2-O-[6-O-[3-[4-(β-D-glucopyranosyloxy)phenyl]-1-oxo-2-propenyl]-β-D-glucopyranosyl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (E)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=142997-34-0 (retrieved ) (CAS RN: 142997-34-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C42H46O22/c1-16-28(48)34(54)39(42(58-16)63-38-31(51)27-22(46)12-20(45)13-23(27)60-37(38)18-5-7-19(44)8-6-18)64-41-36(56)33(53)30(50)25(62-41)15-57-26(47)11-4-17-2-9-21(10-3-17)59-40-35(55)32(52)29(49)24(14-43)61-40/h2-13,16,24-25,28-30,32-36,39-46,48-50,52-56H,14-15H2,1H3
InChIKey
InChIKey=IYWSDKILEAGLBX-UHFFFAOYSA-N
SMILES
O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC=C(O)C=C3)C4C(OC5OC(COC(C=CC6=CC=C(OC7OC(CO)C(O)C(O)C7O)C=C6)=O)C(O)C(O)C5O)C(O)C(O)C(C)O4
Canonical SMILES
O=C(OCC1OC(OC2C(O)C(O)C(OC2OC=3C(=O)C=4C(O)=CC(O)=CC4OC3C=5C=CC(O)=CC5)C)C(O)C(O)C1O)C=CC6=CC=C(OC7OC(CO)C(O)C(O)C7O)C=C6
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 3-[[6-deoxy-2-O-[6-O-[3-[4-(β-D-glucopyranosyloxy)phenyl]-1-oxo-2-propenyl]-β-D-glucopyranosyl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (E)-
- 2-Propenoic acid, 3-[4-(β-D-glucopyranosyloxy)phenyl]-, 6′′-ester with 3-[(6-deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, (E)-
