SpectraBase Compound ID | 8NEM8MVkkeI |
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InChI | InChI=1S/C59H60O36/c1-18(62)84-50-40(73)34(91-57(47(50)80)88-31-13-24-26(66)9-22(64)10-29(24)86-48(31)20-4-7-25(65)27(67)8-20)17-83-35(69)14-36(70)92-53-45(78)44(77)52(55(81)82)94-58(53)85-23-11-28(68)37-30(12-23)87-49(19-2-5-21(63)6-3-19)51(41(37)74)93-59-54(43(76)39(72)33(16-61)90-59)95-56-46(79)42(75)38(71)32(15-60)89-56/h2-13,32-34,38-40,42-47,50,52-54,56-61,71-73,75-80H,14-17H2,1H3,(H6-,63,64,65,66,67,68,74,81,82)/p+1/t32-,33-,34-,38-,39-,40-,42+,43+,44-,45-,46-,47+,50-,52-,53+,54-,56+,57+,58+,59+/m1/s1 |
InChIKey | HBUWQFVZPZYYDU-QHLMYVMBSA-O |
Mol Weight | 1346.1 g/mol |
Molecular Formula | C59H61O36 |
Exact Mass | 1345.294253 g/mol |
SpectraBase Spectrum ID | 2nWuOXO46R0 |
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Name | CYANIDIN-3-O-BETA-[KAEMPFEROL-3-O-BETA-(GLUCOPYRANOSYL-(1->2)-GLUCOPYRANOSYL)-7-O-BETA-GLUCURONOPYRANOSYL-2-O-MALOYL]-6-O-BETA-(3-O-ACETYL-G |
Compound Number | 2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C59H61O36 |
InChI | InChI=1S/C59H60O36/c1-18(62)84-50-40(73)34(91-57(47(50)80)88-31-13-24-26(66)9-22(64)10-29(24)86-48(31)20-4-7-25(65)27(67)8-20)17-83-35(69)14-36(70)92-53-45(78)44(77)52(55(81)82)94-58(53)85-23-11-28(68)37-30(12-23)87-49(19-2-5-21(63)6-3-19)51(41(37)74)93-59-54(43(76)39(72)33(16-61)90-59)95-56-46(79)42(75)38(71)32(15-60)89-56/h2-13,32-34,38-40,42-47,50,52-54,56-61,71-73,75-80H,14-17H2,1H3,(H6-,63,64,65,66,67,68,74,81,82)/p+1/t32-,33-,34-,38-,39-,40-,42+,43+,44-,45-,46-,47+,50-,52-,53+,54-,56+,57+,58+,59+/m1/s1 |
InChIKey | HBUWQFVZPZYYDU-QHLMYVMBSA-O |
Literature Reference Author | T.FOSSEN,R.SLIMESTAD,D.O.OVSTEDAL,O.M.ANDERSEN |
Literature Reference Citation | PHYTOCHEM.,54,317(2000) |
Literature Reference DOI | 10.1016/S0031-9422(00)00102-3 |
Molecular Weight | 1346.112 g/mol |
Solvent | CD3OD:CF3COOD=19:1 |
Source File Reference | UWLU1273 |