| SpectraBase Compound ID | KGX9B4IZw23 |
|---|---|
| InChI | InChI=1S/C31H48O7/c1-18-9-14-30(24(34)35)16-15-27(3)19(23(30)29(18,5)37)7-8-20-26(2)12-11-22(33)31(17-32,25(36)38-6)21(26)10-13-28(20,27)4/h7,18,20-23,32-33,37H,8-17H2,1-6H3,(H,34,35)/t18-,20?,21?,22-,23?,26+,27+,28+,29+,30-,31-/m0/s1 |
| InChIKey | NWMIYTWHUDFRPL-BNSFVHKVSA-N |
| Mol Weight | 532.7 g/mol |
| Molecular Formula | C31H48O7 |
| Exact Mass | 532.340004 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 422ZYal5v3o |
|---|---|
| Name | 20(S)-3-BETA,19-ALPHA,24-TRIHYDROXY-URS-23-METHYLESTER-12-EN-23,28-DIOIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O7 |
| InChI | InChI=1S/C31H48O7/c1-18-9-14-30(24(34)35)16-15-27(3)19(23(30)29(18,5)37)7-8-20-26(2)12-11-22(33)31(17-32,25(36)38-6)21(26)10-13-28(20,27)4/h7,18,20-23,32-33,37H,8-17H2,1-6H3,(H,34,35)/t18-,20?,21?,22-,23?,26+,27+,28+,29+,30-,31-/m0/s1 |
| InChIKey | NWMIYTWHUDFRPL-BNSFVHKVSA-N |
| Literature Reference Author | A.T.C.TAKETA,T.SCHMITTMANN-SCHLAGER,D.GUILLAUME,G.GOSMANN,E. P.SCHENKEL |
| Literature Reference Citation | PHYTOCHEM.,53,901(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00517-8 |
| Molecular Weight | 532.718 g/mol |
| Solvent | CDCl3:CD3OD=4:1 |
| Source File Reference | UWLU2217 |