| SpectraBase Compound ID | 5PSRjSQBh95 |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h8,20-23,31-32H,9-18H2,1-7H3/t20-,21-,22+,23-,27-,28+,29+,30+/m0/s1 |
| InChIKey | YJVMDLQSCPBESM-ZZAAMMQTSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3BBAFOwFiJR |
|---|---|
| Name | SCHIMPERINONE;3-BETA,28-DIHYDROXY-16-OXO-12-OLEANENE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h8,20-23,31-32H,9-18H2,1-7H3/t20-,21-,22+,23-,27-,28+,29+,30+/m0/s1 |
| InChIKey | YJVMDLQSCPBESM-ZZAAMMQTSA-N |
| Literature Reference Author | A.K.MACHOCHO,P.C.KIPRONO,S.GRINBERG,S.BITTNER |
| Literature Reference Citation | PHYTOCHEM.,62,573(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00619-2 |
| Molecular Weight | 456.709 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN26860 |