| SpectraBase Compound ID | BdtXf7VU4Y1 |
|---|---|
| InChI | InChI=1S/C31H48O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25?,28-,29+,30+,31-/m0/s1 |
| InChIKey | XXCPTCZYFSRIGU-PWYFEUEJSA-N |
| Mol Weight | 468.7 g/mol |
| Molecular Formula | C31H48O3 |
| Exact Mass | 468.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HZzG4obNfcG |
|---|---|
| Name | METHYL-LUP-20(29)-EN-3-ONE-28-OIC-ACID |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O3 |
| InChI | InChI=1S/C31H48O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25?,28-,29+,30+,31-/m0/s1 |
| InChIKey | XXCPTCZYFSRIGU-PWYFEUEJSA-N |
| Literature Reference Author | K.HATA,K.HORI,S.TAKAHASHI |
| Literature Reference Citation | J.NAT.PROD.,65,645(2002) |
| Literature Reference DOI | 10.1021/np0104673 |
| Molecular Weight | 468.720 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI4136 |