| SpectraBase Compound ID | BpO68fOAYNv |
|---|---|
| InChI | InChI=1S/C30H47NO11/c1-17-15-30(37,42-19(3)18(17)2)25(35)27(36)31-28-24-23(39-16-40-28)26(38-6)29(4,5)21(41-24)14-20(32)12-10-8-7-9-11-13-22(33)34/h7,9,11,13,18-21,23-26,28,32,35,37H,1,8,10,12,14-16H2,2-6H3,(H,31,36)(H,33,34)/b9-7+,13-11+/t18-,19-,20?,21-,23+,24+,25-,26-,28+,30-/m1/s1 |
| InChIKey | HVIHVRPOZWQVBV-KCVKOAGDSA-N |
| Mol Weight | 597.7 g/mol |
| Molecular Formula | C30H47NO11 |
| Exact Mass | 597.314911 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BWduqe16uWo |
|---|---|
| Name | THEOPEDERIN-G |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H47NO11 |
| InChI | InChI=1S/C30H47NO11/c1-17-15-30(37,42-19(3)18(17)2)25(35)27(36)31-28-24-23(39-16-40-28)26(38-6)29(4,5)21(41-24)14-20(32)12-10-8-7-9-11-13-22(33)34/h7,9,11,13,18-21,23-26,28,32,35,37H,1,8,10,12,14-16H2,2-6H3,(H,31,36)(H,33,34)/b9-7+,13-11+/t18-,19-,20?,21-,23+,24+,25-,26-,28+,30-/m1/s1 |
| InChIKey | HVIHVRPOZWQVBV-KCVKOAGDSA-N |
| Literature Reference Author | G.K.PAUL,S.P.GUNASEKERA,R.E.LONGLEY,S.A.POMPONI |
| Literature Reference Citation | J.NAT.PROD.,65,59(2002) |
| Literature Reference DOI | 10.1021/np0103766 |
| Molecular Weight | 597.703 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI2648 |