| SpectraBase Compound ID | EVqSd1UQhXG |
|---|---|
| InChI | InChI=1S/C32H49NO11/c1-19-17-32(40-8,44-21(3)20(19)2)27(36)29(37)33-30-26-25(41-18-42-30)28(39-7)31(4,5)23(43-26)16-22(38-6)14-12-10-9-11-13-15-24(34)35/h9,11-15,20-23,25-28,30,36H,1,10,16-18H2,2-8H3,(H,33,37)(H,34,35)/b11-9+,14-12+,15-13+/t20-,21-,22?,23-,25+,26+,27-,28-,30+,32-/m0/s1 |
| InChIKey | PSOMSXIQCPHRCJ-UHUXEBEMSA-N |
| Mol Weight | 623.7 g/mol |
| Molecular Formula | C32H49NO11 |
| Exact Mass | 623.330561 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BOf6cCnCcQU |
|---|---|
| Name | THEOPEDERIN-K;17-METHOXY-6-HYDROXY-18-EN-THEOPEDERIN-G |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H49NO11 |
| InChI | InChI=1S/C32H49NO11/c1-19-17-32(40-8,44-21(3)20(19)2)27(36)29(37)33-30-26-25(41-18-42-30)28(39-7)31(4,5)23(43-26)16-22(38-6)14-12-10-9-11-13-15-24(34)35/h9,11-15,20-23,25-28,30,36H,1,10,16-18H2,2-8H3,(H,33,37)(H,34,35)/b11-9+,14-12+,15-13+/t20-,21-,22?,23-,25+,26+,27-,28-,30+,32-/m0/s1 |
| InChIKey | PSOMSXIQCPHRCJ-UHUXEBEMSA-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 | 623.741 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI2645 |