| SpectraBase Compound ID | 3JYHbgGk87x |
|---|---|
| InChI | InChI=1S/C27H30O13/c28-18-9-3-5-11-26(18,35)24(33)37-13-15-7-1-2-8-16(15)39-23-22(32)21(31)20(30)17(40-23)14-38-25(34)27(36)12-6-4-10-19(27)29/h1-2,5-8,11-12,17,20-23,30-32,35-36H,3-4,9-10,13-14H2/t17-,20-,21+,22-,23-,26?,27?/m1/s1 |
| InChIKey | FNLJGRRDHYDESR-PACNIBEQSA-N |
| Mol Weight | 562.52 g/mol |
| Molecular Formula | C27H30O13 |
| Exact Mass | 562.168641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JgvHQ66M50K |
|---|---|
| Name | SALICORTIN-6'-O-(1-HYDROXY-6-OXO-2-CYCLOHEXEN-1-CARBOXYLATE) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O13 |
| InChI | InChI=1S/C27H30O13/c28-18-9-3-5-11-26(18,35)24(33)37-13-15-7-1-2-8-16(15)39-23-22(32)21(31)20(30)17(40-23)14-38-25(34)27(36)12-6-4-10-19(27)29/h1-2,5-8,11-12,17,20-23,30-32,35-36H,3-4,9-10,13-14H2/t17-,20-,21+,22-,23-,26?,27?/m1/s1 |
| InChIKey | FNLJGRRDHYDESR-PACNIBEQSA-N |
| Literature Reference Author | S.PICARD,J.CHENAULT,S.AUGUSTIN,C.VENOT |
| Literature Reference Citation | J.NAT.PROD.,57,808(1994) |
| Literature Reference DOI | 10.1021/np50108a018 |
| Molecular Weight | 562.527 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWTS1741 |