3,5-Dihydroxy-4-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]benzaldehyde
CAS Registry Number®
67771-96-4
CAS Name
3,5-Dihydroxy-4-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]benzaldehydeMolecular Formula
C20H20O13Molecular Mass
468.36Cite this Page
3,5-Dihydroxy-4-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]benzaldehyde. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=67771-96-4 (retrieved ) (CAS RN: 67771-96-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C20H20O13/c21-5-7-1-11(24)18(12(25)2-7)33-20-17(29)16(28)15(27)13(32-20)6-31-19(30)8-3-9(22)14(26)10(23)4-8/h1-5,13,15-17,20,22-29H,6H2/t13-,15-,16+,17-,20+/m1/s1
InChIKey
InChIKey=QNCVLUMAFVDLOF-RGCXKDKSSA-N
SMILES
O([C@@H]1O[C@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@H](O)[C@H]1O)C3=C(O)C=C(C=O)C=C3O
Canonical SMILES
O=CC1=CC(O)=C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)=C1
Other Names for this Substance
- Benzaldehyde, 3,5-dihydroxy-4-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]-
- Benzoic acid, 3,4,5-trihydroxy-, 6′-ester with 4-(β-D-glucopyranosyloxy)-3,5-dihydroxybenzaldehyde
- 3,5-Dihydroxy-4-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]benzaldehyde
- Neocretanin