| SpectraBase Compound ID | 7YEqumlWEe |
|---|---|
| InChI | InChI=1S/C33H54O6/c1-27(2)13-15-33(26(36)37)16-14-31(7)20(21(33)17-27)9-10-24-29(5)18-22(34)25(35)30(6,19-39-28(3,4)38)23(29)11-12-32(24,31)8/h9,21-25,34-35,38H,10-19H2,1-8H3,(H,36,37)/t21-,22-,23+,24+,25-,29-,30-,31+,32+,33-/m0/s1 |
| InChIKey | IVNOKFWKEOGTPG-UBAKGTNGSA-N |
| Mol Weight | 546.8 g/mol |
| Molecular Formula | C33H54O6 |
| Exact Mass | 546.392039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2bnsqmtwvZQ |
|---|---|
| Name | 2-BETA-HYDROXY-23-(2-ISOPROPANOLOXY)-OLEANOLIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H54O6 |
| InChI | InChI=1S/C33H54O6/c1-27(2)13-15-33(26(36)37)16-14-31(7)20(21(33)17-27)9-10-24-29(5)18-22(34)25(35)30(6,19-39-28(3,4)38)23(29)11-12-32(24,31)8/h9,21-25,34-35,38H,10-19H2,1-8H3,(H,36,37)/t21-,22-,23+,24+,25-,29-,30-,31+,32+,33-/m0/s1 |
| InChIKey | IVNOKFWKEOGTPG-UBAKGTNGSA-N |
| Literature Reference Author | X.L.ZHOU,C.J.XIAO,L.B.WU,B.HUANG,X.DONG,B.JIANG |
| Literature Reference Citation | J.AS.NAT.PROD.RES.,16,555(2014) |
| Literature Reference DOI | 10.1080/10286020.2014.918110 |
| Molecular Weight | 546.788 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA9159 |