| SpectraBase Compound ID | 6q82C3K5k2r |
|---|---|
| InChI | InChI=1S/C39H54O4/c1-34(2)19-20-36(5)21-22-38(7)26(27(36)24-34)11-13-31-37(6)17-16-32(35(3,4)30(37)15-18-39(31,38)8)43-33(42)14-10-25-9-12-28(40)29(41)23-25/h9-14,23,27,30,32,40-41H,15-22,24H2,1-8H3/b14-10+/t27-,30-,32-,36+,37-,38+,39+/m0/s1 |
| InChIKey | AOZDPCOPAMZROC-NKQBQCPUSA-N |
| Mol Weight | 586.9 g/mol |
| Molecular Formula | C39H54O4 |
| Exact Mass | 586.40221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 15n9eX6hnPJ |
|---|---|
| Name | 9(11),12-OLEANADIEN-3-BETA-CAFFEATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O4 |
| InChI | InChI=1S/C39H54O4/c1-34(2)19-20-36(5)21-22-38(7)26(27(36)24-34)11-13-31-37(6)17-16-32(35(3,4)30(37)15-18-39(31,38)8)43-33(42)14-10-25-9-12-28(40)29(41)23-25/h9-14,23,27,30,32,40-41H,15-22,24H2,1-8H3/b14-10+/t27-,30-,32-,36+,37-,38+,39+/m0/s1 |
| InChIKey | AOZDPCOPAMZROC-NKQBQCPUSA-N |
| Literature Reference Author | H.WANG,X.TIAN,Y.Z.CHEN |
| Literature Reference Citation | J.CHIN.CHEM.SOC.,49,433(2002) |
| Literature Reference DOI | 10.1002/jccs.200200068 |
| Molecular Weight | 586.855 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS3455 |