| SpectraBase Compound ID | Ayd94cMgADb |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-18(2)17-23(31)26(33)19(3)20-11-15-30(8)22-9-10-24-27(4,5)25(32)13-14-28(24,6)21(22)12-16-29(20,30)7/h9,17,19-21,24-26,32-33H,10-16H2,1-8H3/t19-,20+,21?,24?,25+,26-,28-,29+,30-/m1/s1 |
| InChIKey | VLJVSIPTYGANIN-VTNPRBCISA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8yYoQZ4y6It |
|---|---|
| Name | 3-BETA,22S-DIHYDROXY-TIRUCALLA-7,24-DIEN-23-ONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-18(2)17-23(31)26(33)19(3)20-11-15-30(8)22-9-10-24-27(4,5)25(32)13-14-28(24,6)21(22)12-16-29(20,30)7/h9,17,19-21,24-26,32-33H,10-16H2,1-8H3/t19-,20+,21?,24?,25+,26-,28-,29+,30-/m1/s1 |
| InChIKey | VLJVSIPTYGANIN-VTNPRBCISA-N |
| Literature Reference Author | X.D.LUO,S.H.WU,Y.B.MA,D.G.WU |
| Literature Reference Citation | PHYTOCHEM.,54,801(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00172-2 |
| Molecular Weight | 456.709 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU1472 |