4-[[[2-[4-[[[4-(β-D-Glucopyranosyloxy)-3,5-dihydroxyphenyl]methoxy]carbonyl]-2,6-dihydroxyphenoxy]-3,4,5-trihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl β-D-glucopyranoside
CAS Registry Number®
115356-01-9
CAS Name
4-[[[2-[4-[[[4-(β-D-Glucopyranosyloxy)-3,5-dihydroxyphenyl]methoxy]carbonyl]-2,6-dihydroxyphenoxy]-3,4,5-trihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl β-D-glucopyranosideMolecular Formula
C40H42O26Molecular Mass
938.75Cite this Page
4-[[[2-[4-[[[4-(β-D-Glucopyranosyloxy)-3,5-dihydroxyphenyl]methoxy]carbonyl]-2,6-dihydroxyphenoxy]-3,4,5-trihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl β-D-glucopyranoside. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=115356-01-9 (retrieved ) (CAS RN: 115356-01-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C40H42O26/c41-8-23-26(51)28(53)31(56)39(62-23)65-35-17(44)1-12(2-18(35)45)10-60-37(58)14-5-21(48)34(22(49)6-14)64-33-15(7-16(43)25(50)30(33)55)38(59)61-11-13-3-19(46)36(20(47)4-13)66-40-32(57)29(54)27(52)24(9-42)63-40/h1-7,23-24,26-29,31-32,39-57H,8-11H2/t23-,24-,26-,27-,28+,29+,31-,32-,39+,40+/m1/s1
InChIKey
InChIKey=UJJJMPAJSVUXAT-HUSRFXDFSA-N
SMILES
O(C1=C(C(OCC2=CC(O)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(O)=C2)=O)C=C(O)C(O)=C1O)C4=C(O)C=C(C(OCC5=CC(O)=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=C5)=O)C=C4O
Canonical SMILES
O=C(OCC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C(O)=C1)C3=CC(O)=C(OC4=C(O)C(O)=C(O)C=C4C(=O)OCC5=CC(O)=C(OC6OC(CO)C(O)C(O)C6O)C(O)=C5)C(O)=C3
Other Names for this Substance
- β-D-Glucopyranoside, 4-[[[2-[4-[[[4-(β-D-glucopyranosyloxy)-3,5-dihydroxyphenyl]methoxy]carbonyl]-2,6-dihydroxyphenoxy]-3,4,5-trihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl
- 4-[[[2-[4-[[[4-(β-D-Glucopyranosyloxy)-3,5-dihydroxyphenyl]methoxy]carbonyl]-2,6-dihydroxyphenoxy]-3,4,5-trihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl β-D-glucopyranoside
- Isochestanin
