4H-1-Benzopyran-4-one, 3-[(6-deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-

CAS Registry Number®

128701-39-3

CAS Name

4H-1-Benzopyran-4-one, 3-[(6-deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-

Molecular Formula

C39H50O26

Molecular Mass

934.80

Cite this Page

4H-1-Benzopyran-4-one, 3-[(6-deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=128701-39-3 (retrieved 2024-11-05) (CAS RN: 128701-39-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H50O26/c1-9-20(45)26(51)30(55)36(57-9)64-35-29(54)24(49)18(8-41)62-39(35)59-12-5-13(42)19-16(6-12)60-32(11-3-14(43)22(47)15(44)4-11)33(25(19)50)63-38-34(28(53)21(46)10(2)58-38)65-37-31(56)27(52)23(48)17(7-40)61-37/h3-6,9-10,17-18,20-21,23-24,26-31,34-49,51-56H,7-8H2,1-2H3/t9-,10-,17+,18+,20-,21-,23+,24+,26+,27-,28+,29-,30+,31+,34+,35+,36-,37-,38-,39+/m0/s1

InChIKey

InChIKey=MDVBIZMWGMCMKQ-RAXKDBLKSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C2)C5=CC(O)=C(O)C(O)=C5)[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@@H](O)[C@H](C)O6

Canonical SMILES

O=C1C(OC2OC(C)C(O)C(O)C2OC3OC(CO)C(O)C(O)C3O)=C(OC4=CC(OC5OC(CO)C(O)C(O)C5OC6OC(C)C(O)C(O)C6O)=CC(O)=C14)C=7C=C(O)C(O)=C(O)C7

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[(6-deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-