| SpectraBase Compound ID | 59Gu27B6kd0 |
|---|---|
| InChI | InChI=1S/C37H52O8/c1-20(2)22-11-14-36(32(43)44)15-16-37(19-38)23(29(22)36)8-10-28-34(5)18-26(41)30(33(3,4)27(34)12-13-35(28,37)6)45-31(42)21-7-9-24(39)25(40)17-21/h7-9,17,20,22,26-30,38-41H,10-16,18-19H2,1-6H3,(H,43,44)/t22-,26+,27-,28+,29+,30-,34-,35+,36-,37-/m0/s1 |
| InChIKey | XUYTZEQDUDRAON-JBTMTQANSA-N |
| Mol Weight | 624.8 g/mol |
| Molecular Formula | C37H52O8 |
| Exact Mass | 624.366219 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMoSjJF7czr |
|---|---|
| Name | 2-ALPHA,3-BETA,27-TRIHYDROXY-LUP-12-EN-28-OIC-ACID-3-(3',4'-DIHYDROXYBENZOYLESTER) |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H52O8 |
| InChI | InChI=1S/C37H52O8/c1-20(2)22-11-14-36(32(43)44)15-16-37(19-38)23(29(22)36)8-10-28-34(5)18-26(41)30(33(3,4)27(34)12-13-35(28,37)6)45-31(42)21-7-9-24(39)25(40)17-21/h7-9,17,20,22,26-30,38-41H,10-16,18-19H2,1-6H3,(H,43,44)/t22-,26+,27-,28+,29+,30-,34-,35+,36-,37-/m0/s1 |
| InChIKey | XUYTZEQDUDRAON-JBTMTQANSA-N |
| Literature Reference Author | A.R.BILIA,I.MORELLI,J.MENDEZ |
| Literature Reference Citation | J.NAT.PROD.,59,297(1996) |
| Literature Reference DOI | 10.1021/np960134j |
| Molecular Weight | 624.815 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP2358 |