| SpectraBase Compound ID | 6YhbHutALJk |
|---|---|
| InChI | InChI=1S/C30H44O5/c1-25(24(34)35)15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(33)16-25/h7,19-21,31H,8-17H2,1-6H3,(H,34,35)/t19-,20?,21?,25-,26+,27-,28+,29+,30+/m0/s1 |
| InChIKey | IFACNWHWWMMIQU-GWKUURHCSA-N |
| Mol Weight | 484.7 g/mol |
| Molecular Formula | C30H44O5 |
| Exact Mass | 484.318875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4QUmyaeZ2Wt |
|---|---|
| Name | MELILOTIGENIN-D;24-HYDROXY-3,22-DIOXOOLEAN-12-EN-29-OIC-ACID |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44O5 |
| InChI | InChI=1S/C30H44O5/c1-25(24(34)35)15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(33)16-25/h7,19-21,31H,8-17H2,1-6H3,(H,34,35)/t19-,20?,21?,25-,26+,27-,28+,29+,30+/m0/s1 |
| InChIKey | IFACNWHWWMMIQU-GWKUURHCSA-N |
| Literature Reference Author | F.A.MACIAS,A.M.SIMONET,J.C.G.GALINDO,P.C.PACHECO,J.A.SANCHEZ |
| Literature Reference Citation | PHYTOCHEM.,49,709(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00167-8 |
| Molecular Weight | 484.676 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU175 |