3-[[6-Deoxy-4-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

CAS Registry Number®

102231-39-0

CAS Name

3-[[6-Deoxy-4-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

Molecular Formula

C36H36O17

Molecular Mass

740.66

Cite this Page

3-[[6-Deoxy-4-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=102231-39-0 (retrieved 2025-02-19) (CAS RN: 102231-39-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H36O17/c1-15-32(52-36-30(46)28(44)26(42)23(51-36)14-48-24(41)11-4-16-2-7-18(37)8-3-16)29(45)31(47)35(49-15)53-34-27(43)25-21(40)12-20(39)13-22(25)50-33(34)17-5-9-19(38)10-6-17/h2-13,15,23,26,28-32,35-40,42,44-47H,14H2,1H3/b11-4+/t15-,23+,26+,28-,29-,30+,31+,32-,35-,36-/m0/s1

InChIKey

InChIKey=VZCQGYCHGJQNAD-IYGWXNSASA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC=C(O)C=C3)[C@H]4[C@H](O)[C@H](O)[C@@H](O[C@@H]5O[C@H](COC(/C=C/C6=CC=C(O)C=C6)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@H](C)O4

Canonical SMILES

O=C(OCC1OC(OC2C(O)C(O)C(OC=3C(=O)C=4C(O)=CC(O)=CC4OC3C=5C=CC(O)=CC5)OC2C)C(O)C(O)C1O)C=CC6=CC=C(O)C=C6

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[[6-deoxy-4-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 6′′-ester with 3-[(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, (E)-
  • 4H-1-Benzopyran-4-one, 3-[[6-deoxy-4-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • 3-[[6-Deoxy-4-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • 4H-1-Benzopyran-4-one, 3-[[6-deoxy-4-O-[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (E)-

Deleted or Replaced CAS Registry Numbers

139064-71-4, 475631-74-4

CAS INSIGHTSTM
Lithium-ion battery