| SpectraBase Compound ID | K94kmEMpCCl |
|---|---|
| InChI | InChI=1S/C31H48O4/c1-20(2)23-11-12-25-29(6)15-13-24(21(3)9-8-10-22(4)27(33)34)28(29,5)17-18-31(25)19-30(23,31)16-14-26(32)35-7/h10,21,23-25H,1,8-9,11-19H2,2-7H3,(H,33,34)/b22-10+/t21-,23+,24-,25+,28-,29+,30-,31+/m1/s1 |
| InChIKey | PDSDFKBIZPYPJK-YFSQMRILSA-N |
| Mol Weight | 484.7 g/mol |
| Molecular Formula | C31H48O4 |
| Exact Mass | 484.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1o8XL5zIlrv |
|---|---|
| Name | 3,4-SECO-(24Z)-CYClOART-4(28),24-DIENE-3,26-DIOIC-ACID-3-METHYLESTER |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O4 |
| InChI | InChI=1S/C31H48O4/c1-20(2)23-11-12-25-29(6)15-13-24(21(3)9-8-10-22(4)27(33)34)28(29,5)17-18-31(25)19-30(23,31)16-14-26(32)35-7/h10,21,23-25H,1,8-9,11-19H2,2-7H3,(H,33,34)/b22-10+/t21-,23+,24-,25+,28-,29+,30-,31+/m1/s1 |
| InChIKey | PDSDFKBIZPYPJK-YFSQMRILSA-N |
| Literature Reference Author | L.K.SY,R.M.K.SAUNDERS,G.D.BROWN |
| Literature Reference Citation | PHYTOCHEM.,44,1099(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00675-9 |
| Molecular Weight | 484.720 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA384 |