| SpectraBase Compound ID | AUYYcxNbevN |
|---|---|
| InChI | InChI=1S/C31H42O17/c1-3-16-17(10-21(34)43-9-8-14-4-6-15(33)7-5-14)18(28(41)42-2)12-44-29(16)48-31-27(40)25(38)23(36)20(47-31)13-45-30-26(39)24(37)22(35)19(11-32)46-30/h3-7,12,17,19-20,22-27,29-33,35-40H,8-11,13H2,1-2H3/b16-3+/t17-,19-,20-,22-,23-,24+,25+,26-,27-,29-,30-,31+/m0/s1 |
| InChIKey | FVQYDVAAZIXQID-LMBXJFSTSA-N |
| Mol Weight | 686.7 g/mol |
| Molecular Formula | C31H42O17 |
| Exact Mass | 686.2422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KQ88bEKwcZf |
|---|---|
| Name | #2;EXCELSIDE_B;(2-S,4-S,3-E)-METHYL_3-ETHYLIDENE-4-{2-[2-(4-HYDROXYPHENYL)-ETHYL]-OXY-2-OXOETHYL}-2-[(6-O-BETA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSYL)-OXY]-3,4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H42O17 |
| InChI | InChI=1S/C31H42O17/c1-3-16-17(10-21(34)43-9-8-14-4-6-15(33)7-5-14)18(28(41)42-2)12-44-29(16)48-31-27(40)25(38)23(36)20(47-31)13-45-30-26(39)24(37)22(35)19(11-32)46-30/h3-7,12,17,19-20,22-27,29-33,35-40H,8-11,13H2,1-2H3/b16-3+/t17-,19-,20-,22-,23-,24+,25+,26-,27-,29-,30-,31+/m0/s1 |
| InChIKey | FVQYDVAAZIXQID-LMBXJFSTSA-N |
| Literature Reference Author | N.BAJ,K.HE,A.IBARRA,A.BILY,M.ROLLER,X.CHEN,R.RUEHL |
| Literature Reference Citation | J.NAT.PROD.,73,2(2010) |
| Literature Reference DOI | 10.1021/np9003118 |
| Molecular Weight | 686.664 g/mol |
| Sample ID | 34290 |
| Solvent | CD3OD |