| SpectraBase Compound ID | 4e8xi4wErsf |
|---|---|
| InChI | InChI=1S/C30H46O4/c1-18(17-31)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-27(4)12-11-23(32)26(2,3)21(27)10-13-29(22,28)6/h19-22,24,31H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21?,22?,24?,27-,28+,29+,30-/m0/s1 |
| InChIKey | MBAMDFUPHOFPJE-BVPPQWECSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C30H46O4 |
| Exact Mass | 470.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EhggWgvpT9d |
|---|---|
| Name | MESSAGENIC-ACID-G;29-HYDROXY-3-OXOLUP-20(30)-EN-28-OIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O4 |
| InChI | InChI=1S/C30H46O4/c1-18(17-31)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-27(4)12-11-23(32)26(2,3)21(27)10-13-29(22,28)6/h19-22,24,31H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21?,22?,24?,27-,28+,29+,30-/m0/s1 |
| InChIKey | MBAMDFUPHOFPJE-BVPPQWECSA-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 | 470.693 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU169 |