| SpectraBase Compound ID | 71ca0FlrH0X |
|---|---|
| InChI | InChI=1S/C31H48O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h11,14,19,21-22,25-26,32H,3,9-10,12-13,15-18H2,1-2,4-8H3,(H,33,34)/t21?,22-,25+,26+,29-,30-,31+/m1/s1 |
| InChIKey | ONFPYGOMAADWAT-VVYMVFNCSA-N |
| Mol Weight | 468.7 g/mol |
| Molecular Formula | C31H48O3 |
| Exact Mass | 468.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BghYVN6HMh7 |
|---|---|
| Name | DEHYDROBURICOIC-ACID;3-BETA-HYDROXYLANOSTA-7,9(11),24(31)-TRIEN-21-OIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O3 |
| InChI | InChI=1S/C31H48O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h11,14,19,21-22,25-26,32H,3,9-10,12-13,15-18H2,1-2,4-8H3,(H,33,34)/t21?,22-,25+,26+,29-,30-,31+/m1/s1 |
| InChIKey | ONFPYGOMAADWAT-VVYMVFNCSA-N |
| Literature Reference Author | T.TAI,A.AKAHORI,T.SHINGU |
| Literature Reference Citation | PHYTOCHEM.,32,1239(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95099-4 |
| Molecular Weight | 468.720 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU6397 |