1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[[6-O-β-D-glucopyranosyl-4-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-
CAS Registry Number®
131189-50-9
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CAS Name
1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[[6-O-β-D-glucopyranosyl-4-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-Molecular Formula
C38H41O20Cite this Page
1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[[6-O-β-D-glucopyranosyl-4-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=131189-50-9 (retrieved ) (CAS RN: 131189-50-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C38H40O20/c1-51-23-7-15(8-24(52-2)29(23)45)3-6-28(44)58-36-27(14-53-37-33(49)31(47)30(46)26(13-39)56-37)57-38(34(50)32(36)48)55-25-12-18-20(42)10-17(40)11-22(18)54-35(25)16-4-5-19(41)21(43)9-16/h3-12,26-27,30-34,36-39,46-50H,13-14H2,1-2H3,(H4-,40,41,42,43,44,45)/p+1
InChIKey
InChIKey=RAPZMNBUKQLWKN-UHFFFAOYSA-O
SMILES
O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(O)=C(O)C=C3)C4OC(COC5OC(CO)C(O)C(O)C5O)C(OC(C=CC6=CC(OC)=C(O)C(OC)=C6)=O)C(O)C4O
Canonical SMILES
O=C(OC1C(O)C(O)C(OC2=CC=3C(O)=CC(O)=CC3[O+]=C2C=4C=CC(O)=C(O)C4)OC1COC5OC(CO)C(O)C(O)C5O)C=CC6=CC(OC)=C(O)C(OC)=C6
Other Names for this Substance
- 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[[6-O-β-D-glucopyranosyl-4-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-
- Alatanin 1
