| SpectraBase Compound ID | 8ik1GcaEDpk |
|---|---|
| InChI | InChI=1S/C31H48O6/c1-26(2,36)12-7-8-19(17-32)20-11-13-28(4)21-9-10-22-29(5,25(35)37-6)23(33)16-24(34)31(22)18-30(21,31)15-14-27(20,28)3/h7,12,17,19-24,33-34,36H,8-11,13-16,18H2,1-6H3/b12-7+/t19-,20+,21-,22-,23-,24-,27+,28-,29-,30-,31+/m0/s1 |
| InChIKey | TYVLOHFZVJSLIQ-RYSSIURDSA-N |
| Mol Weight | 516.7 g/mol |
| Molecular Formula | C31H48O6 |
| Exact Mass | 516.345089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9jWMQBqqW6W |
|---|---|
| Name | (20XI)-1-ALPHA,3-BETA-25-TRIHYDROXY-CYClOART-21-AL-23-ENE-30-CARBOXYLIC-ACID-METHYLESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O6 |
| InChI | InChI=1S/C31H48O6/c1-26(2,36)12-7-8-19(17-32)20-11-13-28(4)21-9-10-22-29(5,25(35)37-6)23(33)16-24(34)31(22)18-30(21,31)15-14-27(20,28)3/h7,12,17,19-24,33-34,36H,8-11,13-16,18H2,1-6H3/b12-7+/t19-,20+,21-,22-,23-,24-,27+,28-,29-,30-,31+/m0/s1 |
| InChIKey | TYVLOHFZVJSLIQ-RYSSIURDSA-N |
| Literature Reference Author | M.GANZERA,E.P.ELLMERER-MUELLER,H.STUPPNER |
| Literature Reference Citation | PHYTOCHEM.,49,835(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00980-1 |
| Molecular Weight | 516.719 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU348 |