| SpectraBase Compound ID | Cik6l2GTwhv |
|---|---|
| InChI | InChI=1S/C30H40O18/c1-3-13-14(15(26(39)40)11-44-28(13)48-30-25(38)23(36)21(34)19(10-32)47-30)6-7-43-27(41)12-4-5-16(17(8-12)42-2)45-29-24(37)22(35)20(33)18(9-31)46-29/h3-5,8,11,13-14,18-25,28-38H,1,6-7,9-10H2,2H3,(H,39,40)/t13-,14+,18-,19+,20-,21+,22+,23-,24-,25+,28+,29-,30-/m1/s1 |
| InChIKey | VHFHOBRIZGOORR-MQPQNMEKSA-N |
| Mol Weight | 688.6 g/mol |
| Molecular Formula | C30H40O18 |
| Exact Mass | 688.221464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jy8mxiafBJQ |
|---|---|
| Name | 7-O-(4-BETA-D-GLUCOPYRANOSYLOXY-3-METHOXYBENZOYL)-SECOLOGANOLIC-ACID |
| Compound Number | 46 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H40O18 |
| InChI | InChI=1S/C30H40O18/c1-3-13-14(15(26(39)40)11-44-28(13)48-30-25(38)23(36)21(34)19(10-32)47-30)6-7-43-27(41)12-4-5-16(17(8-12)42-2)45-29-24(37)22(35)20(33)18(9-31)46-29/h3-5,8,11,13-14,18-25,28-38H,1,6-7,9-10H2,2H3,(H,39,40)/t13-,14+,18-,19+,20-,21+,22+,23-,24-,25+,28+,29-,30-/m1/s1 |
| InChIKey | VHFHOBRIZGOORR-MQPQNMEKSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,689(2007) |
| Literature Reference DOI | 10.1248/cpb.55.689 |
| Molecular Weight | 688.637 g/mol |
| Sample ID | 37458 |
| Solvent | CD3OD |