| SpectraBase Compound ID | CjNIxIc8juH |
|---|---|
| InChI | InChI=1S/C31H50O3/c1-19(21(3)26(33)34)8-9-20(2)22-12-14-29(7)24-11-10-23-27(4,5)25(32)13-15-30(23)18-31(24,30)17-16-28(22,29)6/h20-25,32H,1,8-18H2,2-7H3,(H,33,34)/t20-,21?,22-,23+,24+,25+,28-,29+,30-,31+/m1/s1 |
| InChIKey | FCQSIIVNJCMJLB-KAETVPQKSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C31H50O3 |
| Exact Mass | 470.375995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4uaBuEZ0nKW |
|---|---|
| Name | AMBOLIC-ACID;3-BETA-HYDROXY-24-METHYLENECYCLOARTAN-26-OIC-ACID |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O3 |
| InChI | InChI=1S/C31H50O3/c1-19(21(3)26(33)34)8-9-20(2)22-12-14-29(7)24-11-10-23-27(4,5)25(32)13-15-30(23)18-31(24,30)17-16-28(22,29)6/h20-25,32H,1,8-18H2,2-7H3,(H,33,34)/t20-,21?,22-,23+,24+,25+,28-,29+,30-,31+/m1/s1 |
| InChIKey | FCQSIIVNJCMJLB-KAETVPQKSA-N |
| Literature Reference Author | C.ESCOBEDO-MARTINEZ,M.C.LOZADA,S.HERNANDEZ-ORTEGA,M.L.VILLAR REAL,D.GRECCO |
| Literature Reference Citation | MAGN.RES.CHEM.,50,52(2012) |
| Literature Reference DOI | 10.1002/mrc.2836 |
| Molecular Weight | 470.736 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT15908 |