| SpectraBase Compound ID | H3FqJgM4yst |
|---|---|
| InChI | InChI=1S/C31H48O3/c1-19(2)22-12-15-31(8)25(29(22,6)14-13-26(33)34-9)11-10-23-27-21(4)20(3)24(32)18-28(27,5)16-17-30(23,31)7/h10,20-22,25,27H,1,11-18H2,2-9H3/t20-,21-,22-,25+,27-,28-,29-,30+,31+/m0/s1 |
| InChIKey | RFZRPIIEIFPNDB-MKGSXVPGSA-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 | 6XeDRaoNH82 |
|---|---|
| Name | 21-OXO-3,4-SECO-URSAN-4(23),12-DIEN-3-OIC-ACID-METHYLESTER |
| Compound Number | 3 |
| 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)22-12-15-31(8)25(29(22,6)14-13-26(33)34-9)11-10-23-27-21(4)20(3)24(32)18-28(27,5)16-17-30(23,31)7/h10,20-22,25,27H,1,11-18H2,2-9H3/t20-,21-,22-,25+,27-,28-,29-,30+,31+/m0/s1 |
| InChIKey | RFZRPIIEIFPNDB-MKGSXVPGSA-N |
| Literature Reference Author | I.C.PARSONS,A.I.GRAY,C.LAVAUD,G.MASSIOT,P.G.WATERMAN |
| Literature Reference Citation | PHYTOCHEM.,30,1221(1991) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95205-1 |
| Molecular Weight | 468.720 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU34222 |