Cyanidin 3-(3,6-dimalonylglucoside)
CAS Registry Number®
171828-60-7
CAS Name
Cyanidin 3-(3,6-dimalonylglucoside)Molecular Formula
C27H25O17Cite this Page
Cyanidin 3-(3,6-dimalonylglucoside). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=171828-60-7 (retrieved ) (CAS RN: 171828-60-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H24O17/c28-11-4-14(30)12-6-17(25(41-16(12)5-11)10-1-2-13(29)15(31)3-10)42-27-24(39)26(44-22(37)8-20(34)35)23(38)18(43-27)9-40-21(36)7-19(32)33/h1-6,18,23-24,26-27,38-39H,7-9H2,(H5-,28,29,30,31,32,33,34,35)/p+1/t18-,23-,24-,26+,27-/m1/s1
InChIKey
InChIKey=CXGHPQSURHQOBH-MQWSOPDOSA-O
SMILES
O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(O)=C(O)C=C3)[C@H]4[C@H](O)[C@@H](OC(CC(O)=O)=O)[C@H](O)[C@@H](COC(CC(O)=O)=O)O4
Canonical SMILES
O=C(O)CC(=O)OCC1OC(OC2=CC=3C(O)=CC(O)=CC3[O+]=C2C=4C=CC(O)=C(O)C4)C(O)C(OC(=O)CC(=O)O)C1O
Other Names for this Substance
- 1-Benzopyrylium, 3-[[3,6-bis-O-(2-carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
- 1-Benzopyrylium, 3-[[3,6-bis-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
- 3-[[3,6-Bis-O-(2-carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium
- Cyanidin 3-(3,6-dimalonylglucoside)
- Cyanidin 3-(3′′,6′′-dimalonylglucoside)
