| SpectraBase Compound ID | 8LU13FPwDca |
|---|---|
| InChI | InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-20-26(4)12-11-21(32)25(2,3)23(26)19(31)16-28(20,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20-,21+,22-,23+,26-,27-,28-,29-,30+/m1/s1 |
| InChIKey | JPGOJQJBPLCRQP-HUVCIBQSSA-N |
| Mol Weight | 488.7 g/mol |
| Molecular Formula | C30H48O5 |
| Exact Mass | 488.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 501glCyiDOE |
|---|---|
| Name | 3-BETA,6-BETA,19-ALPHA-TRIHYDROXY-URS-12-EN-28-OIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O5 |
| InChI | InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-20-26(4)12-11-21(32)25(2,3)23(26)19(31)16-28(20,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20-,21+,22-,23+,26-,27-,28-,29-,30+/m1/s1 |
| InChIKey | JPGOJQJBPLCRQP-HUVCIBQSSA-N |
| Literature Reference Author | T.K.K.DIYABALANAGE,G.P.WANNIGAMA,A.WEERASURIYA,L.JAYASINGHE, P.SIMMONDS |
| Literature Reference Citation | PHYTOCHEM.,40,1311(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00428-A |
| Molecular Weight | 488.708 g/mol |
| Solvent | CDCl3:C5D5N=9:1 |
| Source File Reference | UWMS2876 |