| SpectraBase Compound ID | 5byQvL8i3OF |
|---|---|
| InChI | InChI=1S/C39H54O6/c1-23(2)26-16-19-39(34(43)44)21-20-36(5)27(32(26)39)13-14-30-37(36,6)18-17-29-35(3,4)33(42)28(38(29,30)7)22-45-31(41)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40,42H,1,13-14,16-22H2,2-7H3,(H,43,44)/b15-10+/t26-,27+,28+,29-,30-,32+,33-,36+,37+,38-,39-/m0/s1 |
| InChIKey | MSWXOBSOIDJLPM-CWMRKJPSSA-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 | 8YRFyzB12LC |
|---|---|
| Name | 2-O-(TRANS-PARA-COUMAROYL)-CEANOTHANOLIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O6 |
| InChI | InChI=1S/C39H54O6/c1-23(2)26-16-19-39(34(43)44)21-20-36(5)27(32(26)39)13-14-30-37(36,6)18-17-29-35(3,4)33(42)28(38(29,30)7)22-45-31(41)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40,42H,1,13-14,16-22H2,2-7H3,(H,43,44)/b15-10+/t26-,27+,28+,29-,30-,32+,33-,36+,37+,38-,39-/m0/s1 |
| InChIKey | MSWXOBSOIDJLPM-CWMRKJPSSA-N |
| Literature Reference Author | S.S.LEE,S.N.SHY,K.C.S.LIU |
| Literature Reference Citation | PHYTOCHEM.,46,549(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)00313-0 |
| Molecular Weight | 618.854 g/mol |
| Sample ID | 45445 |
| Solvent | C5D5N |