SpectraBase Compound ID | 7rVlaAUGpyD |
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InChI | InChI=1S/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-22,24,31,33H,9-18H2,1-7H3/t20-,21?,22?,24+,26+,27-,28+,29+,30+/m0/s1 |
InChIKey | ZSSKGAAIGRYCEP-RAKBPLEKSA-N |
Mol Weight | 456.7 g/mol |
Molecular Formula | C30H48O3 |
Exact Mass | 456.360345 g/mol |
SpectraBase Spectrum ID | DIyOesodLaP |
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Name | MELILOTIGENIN-C;22,24-DIHYDROXYOLEAN-12-EN-3-ONE |
Compound Number | 12 |
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)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-22,24,31,33H,9-18H2,1-7H3/t20-,21?,22?,24+,26+,27-,28+,29+,30+/m0/s1 |
InChIKey | ZSSKGAAIGRYCEP-RAKBPLEKSA-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 | 456.709 g/mol |
Solvent | CDCl3 |
Source File Reference | UWLU174 |