| SpectraBase Compound ID | ToAaFLTVcZ |
|---|---|
| InChI | InChI=1S/C33H48O9/c1-17-8-13-33(38-16-17)18(2)27-25(42-33)14-24-22-9-12-32(37)15-26(39-19(3)34)28(40-20(4)35)29(41-21(5)36)31(32,7)23(22)10-11-30(24,27)6/h18,22-29,37H,1,8-16H2,2-7H3/t18-,22+,23-,24?,25-,26+,27-,28+,29+,30-,31-,32-,33+/m0/s1 |
| InChIKey | FNFPRXDTKCJEJB-XFQZGCIJSA-N |
| Mol Weight | 588.7 g/mol |
| Molecular Formula | C33H48O9 |
| Exact Mass | 588.329833 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A76Eh9eBM5e |
|---|---|
| Name | TUPICHIGENIN-AA |
| Compound Number | 13A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H48O9 |
| InChI | InChI=1S/C33H48O9/c1-17-8-13-33(38-16-17)18(2)27-25(42-33)14-24-22-9-12-32(37)15-26(39-19(3)34)28(40-20(4)35)29(41-21(5)36)31(32,7)23(22)10-11-30(24,27)6/h18,22-29,37H,1,8-16H2,2-7H3/t18-,22+,23-,24?,25-,26+,27-,28+,29+,30-,31-,32-,33+/m0/s1 |
| InChIKey | FNFPRXDTKCJEJB-XFQZGCIJSA-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 | 588.739 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI4452 |