5,7-Dihydroxy-3-[[3-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium

CAS Registry Number®

717816-13-2

CAS Name

5,7-Dihydroxy-3-[[3-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium

Molecular Formula

C30H27O14

Cite this Page

5,7-Dihydroxy-3-[[3-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=717816-13-2 (retrieved 2024-11-24) (CAS RN: 717816-13-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H26O14/c31-12-23-26(39)29(44-24(37)6-3-13-1-4-15(32)5-2-13)27(40)30(43-23)42-22-11-17-18(34)9-16(33)10-21(17)41-28(22)14-7-19(35)25(38)20(36)8-14/h1-11,23,26-27,29-31,39-40H,12H2,(H5-,32,33,34,35,36,37,38)/p+1/t23-,26-,27-,29+,30-/m1/s1

InChIKey

InChIKey=NZVJDUGETACNKD-XMIMKILASA-O

SMILES

O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(O)=C(O)C(O)=C3)[C@H]4[C@H](O)[C@@H](OC(C=CC5=CC=C(O)C=C5)=O)[C@H](O)[C@@H](CO)O4

Canonical SMILES

O=C(OC1C(O)C(OC2=CC=3C(O)=CC(O)=CC3[O+]=C2C=4C=C(O)C(O)=C(O)C4)OC(CO)C1O)C=CC5=CC=C(O)C=C5

Other Names for this Substance

  • 1-Benzopyrylium, 5,7-dihydroxy-3-[[3-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-
  • 1-Benzopyrylium, 5,7-dihydroxy-3-[[3-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-
  • 5,7-Dihydroxy-3-[[3-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium

CAS INSIGHTSTM
Hourglass and a clock