| SpectraBase Compound ID | 45aOZTrIl52 |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-18(2)19(3)25(34)26(35)20(16-32)21-10-12-29(7)23-9-8-22-27(4,5)24(33)11-13-30(22)17-31(23,30)15-14-28(21,29)6/h20-26,32-35H,1,3,8-17H2,2,4-7H3/t20-,21+,22?,23?,24-,25?,26?,28+,29-,30+,31-/m0/s1 |
| InChIKey | BPOCTWJJJPPYFY-YMCCUMGUSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H50O4 |
| Exact Mass | 486.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HZmxNRxpJPi |
|---|---|
| Name | 3-BETA,21,22,23-TETRAHYDROXY-CYCLOART-24(31),25(26)-DIENE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-18(2)19(3)25(34)26(35)20(16-32)21-10-12-29(7)23-9-8-22-27(4,5)24(33)11-13-30(22)17-31(23,30)15-14-28(21,29)6/h20-26,32-35H,1,3,8-17H2,2,4-7H3/t20-,21+,22?,23?,24-,25?,26?,28+,29-,30+,31-/m0/s1 |
| InChIKey | BPOCTWJJJPPYFY-YMCCUMGUSA-N |
| Literature Reference Author | M.FURLAN,N.F.ROQUE,W.W.FILHO |
| Literature Reference Citation | PHYTOCHEM.,32,1519(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85170-V |
| Molecular Weight | 486.736 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU6611 |