4-[[[2-[5-[[[4-(β-D-Glucopyranosyloxy)-3,5-dihydroxyphenyl]methoxy]carbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl β-D-glucopyranoside
CAS Registry Number®
68325-50-8
CAS Name
4-[[[2-[5-[[[4-(β-D-Glucopyranosyloxy)-3,5-dihydroxyphenyl]methoxy]carbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl β-D-glucopyranosideMolecular Formula
C40H42O26Molecular Mass
938.75Cite this Page
4-[[[2-[5-[[[4-(β-D-Glucopyranosyloxy)-3,5-dihydroxyphenyl]methoxy]carbonyl]-2,3-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=68325-50-8 (retrieved ) (CAS RN: 68325-50-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C40H42O26/c41-8-23-27(51)29(53)32(56)39(63-23)65-35-18(45)1-12(2-19(35)46)10-60-37(58)14-5-16(43)25(49)22(6-14)62-34-15(7-17(44)26(50)31(34)55)38(59)61-11-13-3-20(47)36(21(48)4-13)66-40-33(57)30(54)28(52)24(9-42)64-40/h1-7,23-24,27-30,32-33,39-57H,8-11H2/t23-,24-,27-,28-,29+,30+,32-,33-,39+,40+/m1/s1
InChIKey
InChIKey=NSFIWSANZNJXLP-XDSCYBHUSA-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=CC(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)=CC(O)=C4O
Canonical SMILES
O=C(OCC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C(O)=C1)C3=CC(O)=C(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)=C3
Other Names for this Substance
- β-D-Glucopyranoside, 4-[[[2-[5-[[[4-(β-D-glucopyranosyloxy)-3,5-dihydroxyphenyl]methoxy]carbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl
- 4-[[[2-[5-[[[4-(β-D-Glucopyranosyloxy)-3,5-dihydroxyphenyl]methoxy]carbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl β-D-glucopyranoside
- Chestanin
- NSC 311363
