| SpectraBase Compound ID | IRd10y89xsM |
|---|---|
| InChI | InChI=1S/C30H48O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)15-24(34)30(19,17-31)16-23(25)33/h8,19-22,24,31-32,34H,9-17H2,1-7H3/t19?,20?,21?,22-,24+,27-,28+,29+,30+/m0/s1 |
| InChIKey | ARHWOGLEXBEVAV-WSJNGKPMSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CJ1SE8uSUVH |
|---|---|
| Name | 3-BETA,16-ALPHA,28-TRIHYDROXYOLEAN-12-EN-21-ONE |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O4 |
| InChI | InChI=1S/C30H48O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)15-24(34)30(19,17-31)16-23(25)33/h8,19-22,24,31-32,34H,9-17H2,1-7H3/t19?,20?,21?,22-,24+,27-,28+,29+,30+/m0/s1 |
| InChIKey | ARHWOGLEXBEVAV-WSJNGKPMSA-N |
| Literature Reference Author | M.K.WANG,H.CAI,S.L.PENG,L.S.DING,F.E.WU,Y.Z.CHEN |
| Literature Reference Citation | PHYTOCHEM.,48,1411(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00850-9 |
| Molecular Weight | 472.709 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS1514 |