| SpectraBase Compound ID | Kmg8FSFklNE |
|---|---|
| InChI | InChI=1S/C31H46O8/c1-16-7-12-31(36-15-16)17(2)25-23(39-31)13-22-20-8-11-30(35)14-24(37-18(3)32)26(38-19(4)33)27(34)29(30,6)21(20)9-10-28(22,25)5/h17,20-27,34-35H,1,7-15H2,2-6H3/t17-,20+,21-,22?,23-,24+,25-,26+,27+,28-,29-,30-,31+/m0/s1 |
| InChIKey | JMAKXSQISYEBED-NJPYOXIQSA-N |
| Mol Weight | 546.7 g/mol |
| Molecular Formula | C31H46O8 |
| Exact Mass | 546.319268 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AC6FpBWb3BG |
|---|---|
| Name | TUPICHIGENIN-AB |
| Compound Number | 13B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O8 |
| InChI | InChI=1S/C31H46O8/c1-16-7-12-31(36-15-16)17(2)25-23(39-31)13-22-20-8-11-30(35)14-24(37-18(3)32)26(38-19(4)33)27(34)29(30,6)21(20)9-10-28(22,25)5/h17,20-27,34-35H,1,7-15H2,2-6H3/t17-,20+,21-,22?,23-,24+,25-,26+,27+,28-,29-,30-,31+/m0/s1 |
| InChIKey | JMAKXSQISYEBED-NJPYOXIQSA-N |
| Literature Reference Author | W.B.PAN,F.R.CHANG,L.M.WEI,Y.C.WU |
| Literature Reference Citation | J.NAT.PROD.,66,161(2003) |
| Literature Reference DOI | 10.1021/np0203382 |
| Molecular Weight | 546.701 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI4453 |