| SpectraBase Compound ID | DeqlymOwKKS |
|---|---|
| InChI | InChI=1S/C32H50O6/c1-19-11-16-32(26(35)38-8)18-17-28(3)20(24(32)31(19,6)36)9-10-21-27(2)14-13-23(33)30(5,25(34)37-7)22(27)12-15-29(21,28)4/h9,19,21-24,33,36H,10-18H2,1-8H3/t19-,21-,22-,23+,24-,27-,28-,29-,30+,31-,32+/m1/s1 |
| InChIKey | MSAQECIRAZTISI-BJXOGQRYSA-N |
| Mol Weight | 530.7 g/mol |
| Molecular Formula | C32H50O6 |
| Exact Mass | 530.360739 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LDXR1Qr4htv |
|---|---|
| Name | 3-BETA,19-ALPHA-DIHYDROXY-URS-12-ENE-24,28-METHYLDIOATE |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H50O6 |
| InChI | InChI=1S/C32H50O6/c1-19-11-16-32(26(35)38-8)18-17-28(3)20(24(32)31(19,6)36)9-10-21-27(2)14-13-23(33)30(5,25(34)37-7)22(27)12-15-29(21,28)4/h9,19,21-24,33,36H,10-18H2,1-8H3/t19-,21-,22-,23+,24-,27-,28-,29-,30+,31-,32+/m1/s1 |
| InChIKey | MSAQECIRAZTISI-BJXOGQRYSA-N |
| Literature Reference Author | R.AGARWAL,R.SINGH,I.R.SIDDIQUI,J.SINGH |
| Literature Reference Citation | PHYTOCHEM.,38,935(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00747-H |
| Molecular Weight | 530.745 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS3800 |