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

CAS Registry Number®

187410-77-1
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CAS Name

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

Molecular Formula

C39H50O25

Molecular Mass

918.80

Cite this Page

4H-1-Benzopyran-4-one, 3-[(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=187410-77-1 (retrieved 2024-09-19) (CAS RN: 187410-77-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H50O25/c1-10-21(44)25(48)29(52)36(57-10)56-9-19-23(46)27(50)30(53)38(62-19)59-13-6-16(43)20-17(7-13)60-34(12-3-4-14(41)15(42)5-12)35(24(20)47)64-37-32(55)28(51)33(11(2)58-37)63-39-31(54)26(49)22(45)18(8-40)61-39/h3-7,10-11,18-19,21-23,25-33,36-46,48-55H,8-9H2,1-2H3/t10-,11-,18+,19+,21-,22+,23+,25+,26-,27-,28-,29+,30+,31+,32+,33-,36+,37-,38+,39-/m0/s1

InChIKey

InChIKey=QLLBJLPRDZPFEQ-UKWPXNKTSA-N

SMILES

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

Canonical SMILES

O=C1C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)=C(OC4=CC(OC5OC(COC6OC(C)C(O)C(O)C6O)C(O)C(O)C5O)=CC(O)=C14)C=7C=CC(O)=C(O)C7

Other Names for this Substance

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