| SpectraBase Compound ID | 8WqKyyFIZMr |
|---|---|
| InChI | InChI=1S/C27H40O16/c1-12(2)7-27(8-17(30)31,43-25-23(37)21(35)19(33)16(10-29)42-25)26(38)39-11-13-3-5-14(6-4-13)40-24-22(36)20(34)18(32)15(9-28)41-24/h3-6,12,15-16,18-25,28-29,32-37H,7-11H2,1-2H3,(H,30,31)/t15-,16+,18-,19+,20+,21-,22-,23+,24-,25-,27+/m1/s1 |
| InChIKey | ZGNUJHGCJSHIQU-IQHLBBDQSA-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 | WYH2HNq00a |
|---|---|
| Name | DACTYLORHIN-E;(2R)-2-BETA-D-GLUCOPYRANOSYLOXY-2-(2-METHYLPROPYL)-BUTANEDIOIC-ACID-1-(4-BETA-D-GLUCOPYRANOSYLOXYBENZYL)-ESTER |
| Compound Number | 11 |
| 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(8-17(30)31,43-25-23(37)21(35)19(33)16(10-29)42-25)26(38)39-11-13-3-5-14(6-4-13)40-24-22(36)20(34)18(32)15(9-28)41-24/h3-6,12,15-16,18-25,28-29,32-37H,7-11H2,1-2H3,(H,30,31)/t15-,16+,18-,19+,20+,21-,22-,23+,24-,25-,27+/m1/s1 |
| InChIKey | ZGNUJHGCJSHIQU-IQHLBBDQSA-N |
| Literature Reference Author | H.KIZU,E.I.KANEKO,T.TOMIMORI |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,1618(1999) |
| Literature Reference DOI | 10.1248/cpb.47.1618 |
| Molecular Weight | 620.605 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU8427 |