| SpectraBase Compound ID | BrlrxaEnW3Q |
|---|---|
| InChI | InChI=1S/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20-22,24,32H,9-16,18H2,1-8H3/t20-,21+,22-,24+,27+,28-,29-,30+,31+/m0/s1 |
| InChIKey | KCNAFYUBCIEJRV-SPQCNPLJSA-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 | 6f4gyUsv0jM |
|---|---|
| Name | 3-OXO-11-ALPHA-HYDROXYOLEAN-12-ENE-30-OIC-ACID-METHYLESTER |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O4 |
| InChI | InChI=1S/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20-22,24,32H,9-16,18H2,1-8H3/t20-,21+,22-,24+,27+,28-,29-,30+,31+/m0/s1 |
| InChIKey | KCNAFYUBCIEJRV-SPQCNPLJSA-N |
| Literature Reference Author | I.MUHAMMAD,K.A.ELSAYED,J.S.MOSSA,M.S.AL-SAID,F.S.EL-FERALY,A .M.CLARK,C.D.HUFFORD |
| Literature Reference Citation | J.NAT.PROD.,63,605(2000) |
| Literature Reference DOI | 10.1021/np990456y |
| Molecular Weight | 484.720 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU5780 |