| SpectraBase Compound ID | 6nJ045jJ0Yc |
|---|---|
| InChI | InChI=1S/C33H52O6/c1-19-12-15-33(27(36)38-9)17-16-30(6)21(25(33)32(19,8)37)10-11-24-29(5)18-22(39-20(2)34)26(35)28(3,4)23(29)13-14-31(24,30)7/h10,19,22-26,35,37H,11-18H2,1-9H3/t19-,22-,23?,24?,25?,26+,29+,30-,31-,32-,33+/m1/s1 |
| InChIKey | WDLTZQAZOXFRGL-KQWITZKWSA-N |
| Mol Weight | 544.8 g/mol |
| Molecular Formula | C33H52O6 |
| Exact Mass | 544.376389 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KHHZhX44axH |
|---|---|
| Name | METHYL-2-ACETYL-TORMENTATE;METHYL-2-ALPHA-ACETOXY-3-BETA,19-ALPHA-DIHYDROXY-URS-12-EN-28-OATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H52O6 |
| InChI | InChI=1S/C33H52O6/c1-19-12-15-33(27(36)38-9)17-16-30(6)21(25(33)32(19,8)37)10-11-24-29(5)18-22(39-20(2)34)26(35)28(3,4)23(29)13-14-31(24,30)7/h10,19,22-26,35,37H,11-18H2,1-9H3/t19-,22-,23?,24?,25?,26+,29+,30-,31-,32-,33+/m1/s1 |
| InChIKey | WDLTZQAZOXFRGL-KQWITZKWSA-N |
| Literature Reference Author | D.LONTSI,B.L.SONDENGAM,M.T.MARTIN,B.BODO |
| Literature Reference Citation | PHYTOCHEM.,48,171(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00789-9 |
| Molecular Weight | 544.772 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS642 |