| SpectraBase Compound ID | 5AZeecUtVUJ |
|---|---|
| InChI | InChI=1S/C33H34O16/c34-14-33-25-17(29(30(33)49-33)47-24(40)8-4-16-2-6-19(36)21(38)12-16)9-10-44-31(25)48-32-28(43)27(42)26(41)22(46-32)13-45-23(39)7-3-15-1-5-18(35)20(37)11-15/h1-12,17,22,25-32,34-38,41-43H,13-14H2/b7-3+,8-4+/t17-,22+,25-,26+,27-,28+,29+,30+,31+,32-,33-/m1/s1 |
| InChIKey | XCBSVKAYBNIRSG-OVOQDLMKSA-N |
| Mol Weight | 686.6 g/mol |
| Molecular Formula | C33H34O16 |
| Exact Mass | 686.184685 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5KLpJjrtOXS |
|---|---|
| Name | 6,6'-DI-O-CAFFEOYLCATAPOL |
| Compound Number | 7F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H34O16 |
| InChI | InChI=1S/C33H34O16/c34-14-33-25-17(29(30(33)49-33)47-24(40)8-4-16-2-6-19(36)21(38)12-16)9-10-44-31(25)48-32-28(43)27(42)26(41)22(46-32)13-45-23(39)7-3-15-1-5-18(35)20(37)11-15/h1-12,17,22,25-32,34-38,41-43H,13-14H2/b7-3+,8-4+/t17-,22+,25-,26+,27-,28+,29+,30+,31+,32-,33-/m1/s1 |
| InChIKey | XCBSVKAYBNIRSG-OVOQDLMKSA-N |
| Literature Reference Author | R.M.TASKOVA,T.KOKUBUN,K.G.RYAN,P.J.GARNOCK-JONES,S.R.JENSEN |
| Literature Reference Citation | J.NAT.PROD.,74,1477(2011) |
| Literature Reference DOI | 10.1021/np200233p |
| Molecular Weight | 686.623 g/mol |
| Sample ID | 38491 |
| Solvent | CD3OD |