| SpectraBase Compound ID | 3sxh0HwKDrr |
|---|---|
| InChI | InChI=1S/C31H48O4/c1-20(2)23-12-13-26-25(29(23,5)17-16-27(32)35-8)15-19-30(6)24(14-18-31(26,30)7)21(3)10-9-11-22(4)28(33)34/h11,13,21,23-25H,1,9-10,12,14-19H2,2-8H3,(H,33,34)/b22-11-/t21-,23-,24-,25-,29-,30-,31+/m0/s1 |
| InChIKey | ZLCJPEBHLRXQLF-GWKKQORJSA-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 | 1CBWO0NTllC |
|---|---|
| Name | LEUCOPHYLLIC-ACID-3-METHYLESTER;(24Z)-3,4-SECOTIRUCALLA-4(28),7,24-TRIENE-3-METHYLOATE-26-OIC-ACID |
| Compound Number | 2 |
| 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)23-12-13-26-25(29(23,5)17-16-27(32)35-8)15-19-30(6)24(14-18-31(26,30)7)21(3)10-9-11-22(4)28(33)34/h11,13,21,23-25H,1,9-10,12,14-19H2,2-8H3,(H,33,34)/b22-11-/t21-,23-,24-,25-,29-,30-,31+/m0/s1 |
| InChIKey | ZLCJPEBHLRXQLF-GWKKQORJSA-N |
| Literature Reference Author | A.BENOSMAN,P.RICHOMME,T.SEVENET,A.H.A.HADI,J.BRUNETON |
| Literature Reference Citation | PHYTOCHEM.,37,1143(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89545-X |
| Molecular Weight | 484.720 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU24055 |