Pelargonidin 3-O-[6-O-(E)-Caffeoyl Sophoroside]-5-O-(6-O-malonyl)-β-D-glucoside | CAS No. 1034402-86-2

Pelargonidin 3-O-[6-O-(E)-Caffeoyl Sophoroside]-5-O-(6-O-malonyl)-β-D-glucoside

Basic Information

CAS Number

1034402-86-2

Molecular Formula

C45H49O26

AD

Basic Physical Properties

OCC1OC(OC2C(O)C(O)C(COC(=O)\C=C\c3ccc(O)c(O)c3)OC2Oc2cc3c(OC4OC(COC(=O)CC(O)=O)C(O)C(O)C4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O)C(O)C1O

InChI

InChI=1S/C45H48O26/c46-14-27-33(55)36(58)40(62)44(68-27)71-42-38(60)35(57)29(15-63-31(53)8-2-17-1-7-22(49)23(50)9-17)70-45(42)67-26-12-21-24(65-41(26)18-3-5-19(47)6-4-18)10-20(48)11-25(21)66-43-39(61)37(59)34(56)28(69-43)16-64-32(54)13-30(51)52/h1-12,27-29,33-40,42-46,55-62H,13-16H2,(H4-,47,48,49,50,51,52,53)/p+1

InChIKey

MYVDSXMCJMEZKH-UHFFFAOYSA-O

Synonyms & References

English

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