| SpectraBase Compound ID | F9jOttB18GP |
|---|---|
| InChI | InChI=1S/C39H54O5/c1-24-16-21-39(34(42)43)23-22-37(6)28(33(39)25(24)2)13-14-30-36(5)19-18-31(35(3,4)29(36)17-20-38(30,37)7)44-32(41)15-10-26-8-11-27(40)12-9-26/h8-13,15,24-25,29-31,33,40H,14,16-23H2,1-7H3,(H,42,43)/b15-10+/t24-,25+,29+,30-,31+,33+,36+,37-,38-,39+/m1/s1 |
| InChIKey | ZOXDAGKKDOEJBW-YVZDRRNJSA-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 | 7EHoPpoT09Z |
|---|---|
| Name | 3-BETA-O-(TRANS)-PARA-COUMAROYL-URS-12-EN-28-OIC-ACID |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O5 |
| InChI | InChI=1S/C39H54O5/c1-24-16-21-39(34(42)43)23-22-37(6)28(33(39)25(24)2)13-14-30-36(5)19-18-31(35(3,4)29(36)17-20-38(30,37)7)44-32(41)15-10-26-8-11-27(40)12-9-26/h8-13,15,24-25,29-31,33,40H,14,16-23H2,1-7H3,(H,42,43)/b15-10+/t24-,25+,29+,30-,31+,33+,36+,37-,38-,39+/m1/s1 |
| InChIKey | ZOXDAGKKDOEJBW-YVZDRRNJSA-N |
| Literature Reference Author | J.P.DAVID,M.MEIRA,J.M.DAVID,M.L.D.S.GUEDES |
| Literature Reference Citation | QUIM.NOVA,27,62(2004) |
| Literature Reference DOI | 10.1590/s0100-40422004000100013 |
| Molecular Weight | 602.855 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWBT12231 |