| SpectraBase Compound ID | 1ckcTId6gA7 |
|---|---|
| InChI | InChI=1S/C37H52O7/c1-20(2)22-12-15-37(32(42)43)17-16-35(6)23(29(22)37)9-11-28-34(5)19-26(40)30(33(3,4)27(34)13-14-36(28,35)7)44-31(41)21-8-10-24(38)25(39)18-21/h8-10,18,20,22,26-30,38-40H,11-17,19H2,1-7H3,(H,42,43)/t22-,26+,27-,28+,29+,30-,34-,35+,36+,37-/m0/s1 |
| InChIKey | SICKXTCVEDRKSA-RALNLNQFSA-N |
| Mol Weight | 608.8 g/mol |
| Molecular Formula | C37H52O7 |
| Exact Mass | 608.371304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 29ZzDQbJ2pw |
|---|---|
| Name | 2-ALPHA,3-BETA-DIHYDROXY-LUP-12-EN-28-OIC-ACID-3-(3',4'-DIHYDROXYBENZOYLESTER) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H52O7 |
| InChI | InChI=1S/C37H52O7/c1-20(2)22-12-15-37(32(42)43)17-16-35(6)23(29(22)37)9-11-28-34(5)19-26(40)30(33(3,4)27(34)13-14-36(28,35)7)44-31(41)21-8-10-24(38)25(39)18-21/h8-10,18,20,22,26-30,38-40H,11-17,19H2,1-7H3,(H,42,43)/t22-,26+,27-,28+,29+,30-,34-,35+,36+,37-/m0/s1 |
| InChIKey | SICKXTCVEDRKSA-RALNLNQFSA-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 | 608.816 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP2357 |