| SpectraBase Compound ID | B9yF8NY2knJ |
|---|---|
| InChI | InChI=1S/C27H40O16/c1-12(2)7-27(26(37)38,43-25-23(36)21(34)19(32)16(10-29)42-25)8-17(30)39-11-13-3-5-14(6-4-13)40-24-22(35)20(33)18(31)15(9-28)41-24/h3-6,12,15-16,18-25,28-29,31-36H,7-11H2,1-2H3,(H,37,38)/t15-,16-,18-,19-,20+,21+,22-,23-,24-,25+,27+/m0/s1 |
| InChIKey | IUPYGWJEIVSSTJ-WEBJAOQGSA-N |
| Mol Weight | 620.6 g/mol |
| Molecular Formula | C27H40O16 |
| Exact Mass | 620.231635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUB6Xb02jff |
|---|---|
| Name | (-)-(2-R)-2-O-BETA-D-GLUCOPYRANOSYL-4-(4-BETA-D-GLUCOPYRANOSYLOXYBENZYL)-2-ISOBUTYLMALATE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O16 |
| InChI | InChI=1S/C27H40O16/c1-12(2)7-27(26(37)38,43-25-23(36)21(34)19(32)16(10-29)42-25)8-17(30)39-11-13-3-5-14(6-4-13)40-24-22(35)20(33)18(31)15(9-28)41-24/h3-6,12,15-16,18-25,28-29,31-36H,7-11H2,1-2H3,(H,37,38)/t15-,16-,18-,19-,20+,21+,22-,23-,24-,25+,27+/m0/s1 |
| InChIKey | IUPYGWJEIVSSTJ-WEBJAOQGSA-N |
| Literature Reference Author | J.ZI,S.LI,M.LIU,M.GAN,S.LIN,W.SONG,Y.ZHANG,X.FAN,Y.YANG,J.ZH ANG,J.SHI,D.DI |
| Literature Reference Citation | J.NAT.PROD.,71,799(2008) |
| Literature Reference DOI | 10.1021/np070670j |
| Molecular Weight | 620.605 g/mol |
| Sample ID | 28248 |
| Solvent | CD3OD |