| SpectraBase Compound ID | 1Fco6gRbfOj |
|---|---|
| InChI | InChI=1S/C39H54O5/c1-34(2)23-27-26-14-15-29-36(5)19-18-30(40)35(3,4)28(36)17-20-38(29,7)37(26,6)21-22-39(27,33(42)43)24-31(34)44-32(41)16-13-25-11-9-8-10-12-25/h8-14,16,27-31,40H,15,17-24H2,1-7H3,(H,42,43)/b16-13+/t27?,28?,29?,30-,31?,36-,37+,38+,39+/m0/s1 |
| InChIKey | ORVHJQXVUAOELM-QTOJQOEJSA-N |
| Mol Weight | 602.9 g/mol |
| Molecular Formula | C39H54O5 |
| Exact Mass | 602.397125 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5kXG7Xz6P8U |
|---|---|
| Name | 3-BETA-HYDROXY-21-BETA-E-CINNAMOYLOXYOLEAN-12-EN-28-OIC-ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O5 |
| InChI | InChI=1S/C39H54O5/c1-34(2)23-27-26-14-15-29-36(5)19-18-30(40)35(3,4)28(36)17-20-38(29,7)37(26,6)21-22-39(27,33(42)43)24-31(34)44-32(41)16-13-25-11-9-8-10-12-25/h8-14,16,27-31,40H,15,17-24H2,1-7H3,(H,42,43)/b16-13+/t27?,28?,29?,30-,31?,36-,37+,38+,39+/m0/s1 |
| InChIKey | ORVHJQXVUAOELM-QTOJQOEJSA-N |
| Literature Reference Author | M.C.C.DELGADO,M.S.DASILVA,R.B.FO |
| Literature Reference Citation | PHYTOCHEM.,23,2289(1984) |
| Literature Reference DOI | 10.1016/S0031-9422(00)80537-3 |
| Molecular Weight | 602.855 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK346 |