![CYANIDIN-3-[3''-(O-BETA-D-GLUCOPYRANOSYL)-6''-(O-ALPHA-L-RHAMNOPYRANOSYL)-O-BETA-D-GLUCOPYRANOSIDE]](/api/spectrum/E5ckaINqhCb/structure.png?h=300&w=458 "CYANIDIN-3-[3''-(O-BETA-D-GLUCOPYRANOSYL)-6''-(O-ALPHA-L-RHAMNOPYRANOSYL)-O-BETA-D-GLUCOPYRANOSIDE]")
| SpectraBase Compound ID | BM2c3ceQ8VE |
|---|---|
| InChI | InChI=1S/C33H40O20/c1-10-21(39)24(42)26(44)31(48-10)47-9-20-23(41)30(53-32-27(45)25(43)22(40)19(8-34)51-32)28(46)33(52-20)50-18-7-13-15(37)5-12(35)6-17(13)49-29(18)11-2-3-14(36)16(38)4-11/h2-7,10,19-28,30-34,39-46H,8-9H2,1H3,(H3-,35,36,37,38)/p+1/t10-,19+,20+,21-,22+,23+,24+,25-,26+,27+,28+,30-,31+,32-,33+/m0/s1 |
| InChIKey | LSIHLVAATDSBMQ-LRIWEGBYSA-O |
| Mol Weight | 757.7 g/mol |
| Molecular Formula | C33H41O20 |
| Exact Mass | 757.219119 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E5ckaINqhCb |
|---|---|
| Name | CYANIDIN-3-[3''-(O-BETA-D-GLUCOPYRANOSYL)-6''-(O-ALPHA-L-RHAMNOPYRANOSYL)-O-BETA-D-GLUCOPYRANOSIDE] |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H41O20 |
| InChI | InChI=1S/C33H40O20/c1-10-21(39)24(42)26(44)31(48-10)47-9-20-23(41)30(53-32-27(45)25(43)22(40)19(8-34)51-32)28(46)33(52-20)50-18-7-13-15(37)5-12(35)6-17(13)49-29(18)11-2-3-14(36)16(38)4-11/h2-7,10,19-28,30-34,39-46H,8-9H2,1H3,(H3-,35,36,37,38)/p+1/t10-,19+,20+,21-,22+,23+,24+,25-,26+,27+,28+,30-,31+,32-,33+/m0/s1 |
| InChIKey | LSIHLVAATDSBMQ-LRIWEGBYSA-O |
| Literature Reference Author | Y.SAKAGUCHI,Y.OZAKI,I.MIYAJIMA,M.YAMAGUCHI,Y.FUKUI,K.IWASA,S .MOTOKI,T.SUZUKI,H.O |
| Literature Reference Citation | PHYTOCHEM.,69,1763(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.02.021 |
| Molecular Weight | 757.677 g/mol |
| Sample ID | 44147 |
| Solvent | TFA-D:CDCl3=2:1 |