| SpectraBase Compound ID | xhlQXPt6mC |
|---|---|
| InChI | InChI=1S/C32H50O5/c1-19(29(4,5)36)10-11-20(27(35)37-9)26-23(33)18-32(8)22-12-13-24-28(2,3)25(34)15-16-30(24,6)21(22)14-17-31(26,32)7/h12,14,20,23-26,33-34,36H,1,10-11,13,15-18H2,2-9H3/t20?,23-,24+,25-,26+,30-,31-,32+/m1/s1 |
| InChIKey | QYINWYSAHKZFTN-HSTXRIAUSA-N |
| Mol Weight | 514.7 g/mol |
| Molecular Formula | C32H50O5 |
| Exact Mass | 514.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EBSLLqV1eJu |
|---|---|
| Name | METHYL_25-HYDROXY-3-EPIDEHYDROTUMULOSATE |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H50O5 |
| InChI | InChI=1S/C32H50O5/c1-19(29(4,5)36)10-11-20(27(35)37-9)26-23(33)18-32(8)22-12-13-24-28(2,3)25(34)15-16-30(24,6)21(22)14-17-31(26,32)7/h12,14,20,23-26,33-34,36H,1,10-11,13,15-18H2,2-9H3/t20?,23-,24+,25-,26+,30-,31-,32+/m1/s1 |
| InChIKey | QYINWYSAHKZFTN-HSTXRIAUSA-N |
| Literature Reference Author | T.TAI,T.SHINGU,T.KIKUCHI,Y.TEZUKA,A.AKAHORI |
| Literature Reference Citation | PHYTOCHEM.,39,1165(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00110-S |
| Molecular Weight | 514.746 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ7788 |