SpectraBase Compound ID | 43VZonQzxnU |
---|---|
InChI | InChI=1S/C55H60O29/c1-72-29-13-22(14-30(73-2)39(29)63)5-11-36(61)76-21-35-49(82-54-51(44(68)41(65)33(19-56)78-54)81-37(62)12-6-23-15-31(74-3)40(64)32(16-23)75-4)46(70)47(71)53(80-35)84-52-45(69)42(66)34(20-57)79-55(52)83-50-43(67)38-27(60)17-26(59)18-28(38)77-48(50)24-7-9-25(58)10-8-24/h5-18,33-35,41-42,44-47,49,51-60,63-66,68-71H,19-21H2,1-4H3/b11-5+,12-6-/t33-,34+,35+,41-,42-,44+,45-,46+,47+,49+,51-,52+,53-,54+,55-/m0/s1 |
InChIKey | ZPWIQRPHNUHHCS-NQMOVWAVSA-N |
Mol Weight | 1185.1 g/mol |
Molecular Formula | C55H60O29 |
Exact Mass | 1184.322026 g/mol |
SpectraBase Spectrum ID | AK5I6hMwseL |
---|---|
Name | KAEMPFEROL-3-O-[2''''-O-SINAPOYL-BETA-D-GLUCOPYRANOSYL]-(1->4)-[6'''-O-SINAPOYL-BETA-D-GLUCOPYRANOSYL]-(1->2)-BETA-D-GALACTOPYRANOSIDE |
Compound Number | 4 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C55H60O29 |
InChI | InChI=1S/C55H60O29/c1-72-29-13-22(14-30(73-2)39(29)63)5-11-36(61)76-21-35-49(82-54-51(44(68)41(65)33(19-56)78-54)81-37(62)12-6-23-15-31(74-3)40(64)32(16-23)75-4)46(70)47(71)53(80-35)84-52-45(69)42(66)34(20-57)79-55(52)83-50-43(67)38-27(60)17-26(59)18-28(38)77-48(50)24-7-9-25(58)10-8-24/h5-18,33-35,41-42,44-47,49,51-60,63-66,68-71H,19-21H2,1-4H3/b11-5+,12-6-/t33-,34+,35+,41-,42-,44+,45-,46+,47+,49+,51-,52+,53-,54+,55-/m0/s1 |
InChIKey | ZPWIQRPHNUHHCS-NQMOVWAVSA-N |
Literature Reference Author | F.ABE,Y.IWASE,T.YAMAUCHI,S.YAHARA,T.NOHARA |
Literature Reference Citation | PHYTOCHEM.,40,577(1995) |
Literature Reference DOI | 10.1016/0031-9422(95)00316-Y |
Molecular Weight | 1185.064 g/mol |
Solvent | C5D5N |
Source File Reference | UWVN3619 |