| SpectraBase Compound ID | 4GxB8lK2dgN |
|---|---|
| InChI | InChI=1S/C33H50O5/c1-20(34)38-25-12-13-30(6)24-11-10-21-22-18-28(2,3)14-16-33(22,27(36)37-9)17-15-31(21,7)32(24,8)19-23(35)26(30)29(25,4)5/h10,22,24-26H,11-19H2,1-9H3/t22-,24?,25-,26-,30+,31+,32+,33-/m0/s1 |
| InChIKey | AXKBLMKSCAWBGH-MOOYLCDBSA-N |
| Mol Weight | 526.8 g/mol |
| Molecular Formula | C33H50O5 |
| Exact Mass | 526.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ag9snv8JV1y |
|---|---|
| Name | 3-ACETYL-6-OXO-METHYL-SUMARESINOLATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H50O5 |
| InChI | InChI=1S/C33H50O5/c1-20(34)38-25-12-13-30(6)24-11-10-21-22-18-28(2,3)14-16-33(22,27(36)37-9)17-15-31(21,7)32(24,8)19-23(35)26(30)29(25,4)5/h10,22,24-26H,11-19H2,1-9H3/t22-,24?,25-,26-,30+,31+,32+,33-/m0/s1 |
| InChIKey | AXKBLMKSCAWBGH-MOOYLCDBSA-N |
| Literature Reference Author | W.R.CHAN,V.SHEPPARD,K.A.MEDFORD,W.F.TINTO,W.F.REYNOLDS,S.MCL EAN |
| Literature Reference Citation | J.NAT.PROD.,55,963(1992) |
| Literature Reference DOI | 10.1021/np50085a020 |
| Molecular Weight | 526.757 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS5660 |