| SpectraBase Compound ID | AWWci5aHCi6 |
|---|---|
| InChI | InChI=1S/C36H56O6/c1-30(2)16-18-36(29(40)41)19-17-34(8)22(23(36)20-30)10-11-25-33(7)14-13-26(42-27(37)21-31(3,4)28(38)39)32(5,6)24(33)12-15-35(25,34)9/h20,22,24-26H,10-19,21H2,1-9H3,(H,38,39)(H,40,41)/t22-,24+,25-,26+,33+,34-,35-,36+/m1/s1 |
| InChIKey | ORJPWUMIJUWQDR-SCYKBYHXSA-N |
| Mol Weight | 584.8 g/mol |
| Molecular Formula | C36H56O6 |
| Exact Mass | 584.40769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LfK1RtS2W3t |
|---|---|
| Name | 3-O-(3',3'-DIMETHYLSUCCINYL)-MORONIC-ACID |
| Compound Number | 1 0 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O6 |
| InChI | InChI=1S/C36H56O6/c1-30(2)16-18-36(29(40)41)19-17-34(8)22(23(36)20-30)10-11-25-33(7)14-13-26(42-27(37)21-31(3,4)28(38)39)32(5,6)24(33)12-15-35(25,34)9/h20,22,24-26H,10-19,21H2,1-9H3,(H,38,39)(H,40,41)/t22-,24+,25-,26+,33+,34-,35-,36+/m1/s1 |
| InChIKey | ORJPWUMIJUWQDR-SCYKBYHXSA-N |
| Literature Reference Author | J.ITO,F.R.CHANG,H.K.WANG,Y.K.PARK,M.IKEGAKI,N.KILGORE,K.H.LE E |
| Literature Reference Citation | J.NAT.PROD.,64,1278(2001) |
| Literature Reference DOI | 10.1021/np010211x |
| Molecular Weight | 584.837 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI2105 |