| SpectraBase Compound ID | GqJjGehM1gb |
|---|---|
| InChI | InChI=1S/C34H48O11/c1-16-26(42-17(2)35)28(39-6)29(43-18(3)36)31(41-16)44-21-9-11-32(4)20(14-21)7-8-23-25(32)27-30(45-27)33(5)22(10-12-34(23,33)38)19-13-24(37)40-15-19/h13,16,20-23,25-31,38H,7-12,14-15H2,1-6H3/t16-,20+,21-,22+,23+,25+,26-,27-,28+,29+,30-,31+,32-,33-,34-/m0/s1 |
| InChIKey | FKZIQSRDBCFVJD-GEJRZBFYSA-N |
| Mol Weight | 632.7 g/mol |
| Molecular Formula | C34H48O11 |
| Exact Mass | 632.319662 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BbjfXkO9dM3 |
|---|---|
| Name | 4'-ACETYLCERBERTIN,(3-BETA-O-ALPHA-L-2',4'-OAC-THEVETOSID,5-BETA-H,11-ALPHA,12-ALPHA-EPOXY) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H48O11 |
| InChI | InChI=1S/C34H48O11/c1-16-26(42-17(2)35)28(39-6)29(43-18(3)36)31(41-16)44-21-9-11-32(4)20(14-21)7-8-23-25(32)27-30(45-27)33(5)22(10-12-34(23,33)38)19-13-24(37)40-15-19/h13,16,20-23,25-31,38H,7-12,14-15H2,1-6H3/t16-,20+,21-,22+,23+,25+,26-,27-,28+,29+,30-,31+,32-,33-,34-/m0/s1 |
| InChIKey | FKZIQSRDBCFVJD-GEJRZBFYSA-N |
| Literature Reference Author | L.BROWN,H.T.A.CHEUNG,R.THOMAS,T.R.WATSON,J.L.E.NEMORIN |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1779(1981) |
| Literature Reference DOI | 10.1039/p19810001779 |
| Molecular Weight | 632.749 g/mol |
| Solvent | CDCl3:DMSO |
| Source File Reference | UNIW8523 |