| SpectraBase Compound ID | 9cO0BmvS5jn |
|---|---|
| InChI | InChI=1S/C32H52O4/c1-19(2)20(3)9-10-21(4)22-13-14-29(6)23-11-12-24-30(7,27(35)36-8)25(33)17-26(34)32(24)18-31(23,32)16-15-28(22,29)5/h19,21-26,33-34H,3,9-18H2,1-2,4-8H3/t21-,22-,23+,24+,25+,26+,28-,29+,30+,31+,32-/m1/s1 |
| InChIKey | WQTICGCFXVQHNL-YIVDZXIOSA-N |
| Mol Weight | 500.8 g/mol |
| Molecular Formula | C32H52O4 |
| Exact Mass | 500.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9eCI5cYSAaq |
|---|---|
| Name | 1-ALPHA,3-BETA-DIHYDROXY-CYClOART-24-ENE-30-CARBOXYLIC-ACID-METHYLESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H52O4 |
| InChI | InChI=1S/C32H52O4/c1-19(2)20(3)9-10-21(4)22-13-14-29(6)23-11-12-24-30(7,27(35)36-8)25(33)17-26(34)32(24)18-31(23,32)16-15-28(22,29)5/h19,21-26,33-34H,3,9-18H2,1-2,4-8H3/t21-,22-,23+,24+,25+,26+,28-,29+,30+,31+,32-/m1/s1 |
| InChIKey | WQTICGCFXVQHNL-YIVDZXIOSA-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 | 500.762 g/mol |
| Solvent | CD3OD:CDCl3=1:1 |
| Source File Reference | UWLU347 |