| SpectraBase Compound ID | ANeVVD4eUbm |
|---|---|
| InChI | InChI=1S/C39H54O6/c1-23-14-19-39(34(43)44)21-20-37(6)26(33(39)24(23)2)10-12-30-36(5)17-16-31(35(3,4)29(36)15-18-38(30,37)7)45-32(42)13-9-25-8-11-27(40)28(41)22-25/h8-11,13,22-24,29-31,33,40-41H,12,14-21H2,1-7H3,(H,43,44)/b13-9+/t23-,24+,29+,30-,31+,33+,36+,37-,38-,39+/m1/s1 |
| InChIKey | VCZPXYCAXUNYAF-VOPRVZNESA-N |
| Mol Weight | 618.9 g/mol |
| Molecular Formula | C39H54O6 |
| Exact Mass | 618.392039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 42dKAsiseUW |
|---|---|
| Name | 3-O-CAFFEOYL-URSOLIC-ACID |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O6 |
| InChI | InChI=1S/C39H54O6/c1-23-14-19-39(34(43)44)21-20-37(6)26(33(39)24(23)2)10-12-30-36(5)17-16-31(35(3,4)29(36)15-18-38(30,37)7)45-32(42)13-9-25-8-11-27(40)28(41)22-25/h8-11,13,22-24,29-31,33,40-41H,12,14-21H2,1-7H3,(H,43,44)/b13-9+/t23-,24+,29+,30-,31+,33+,36+,37-,38-,39+/m1/s1 |
| InChIKey | VCZPXYCAXUNYAF-VOPRVZNESA-N |
| Literature Reference Author | C.R.LIAO,Y.H.KUO,Y.L.HO,C.Y.WANG,C.S.YANG,C.W.LIN,Y.S.CHANG |
| Literature Reference Citation | MOLECULES,19,9515(2014) |
| Literature Reference DOI | 10.3390/molecules19079515 |
| Molecular Weight | 618.854 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR14834 |