| SpectraBase Compound ID | 3htbdx8vSXM |
|---|---|
| InChI | InChI=1S/C33H51NO11/c1-20-18-33(41-9,45-22(3)21(20)2)28(36)30(37)34-31-27-26(42-19-43-31)29(40-8)32(4,5)24(44-27)17-23(38-6)15-13-11-10-12-14-16-25(35)39-7/h10,12-16,21-24,26-29,31,36H,1,11,17-19H2,2-9H3,(H,34,37)/b12-10+,15-13+,16-14+/t21-,22-,23?,24-,26+,27+,28-,29-,31+,33-/m0/s1 |
| InChIKey | GCAHOMDJDGLSQI-UNQGKCSSSA-N |
| Mol Weight | 637.8 g/mol |
| Molecular Formula | C33H51NO11 |
| Exact Mass | 637.346211 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C76nSZT87UR |
|---|---|
| Name | THEOPEDERIN-K-METHYLESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H51NO11 |
| InChI | InChI=1S/C33H51NO11/c1-20-18-33(41-9,45-22(3)21(20)2)28(36)30(37)34-31-27-26(42-19-43-31)29(40-8)32(4,5)24(44-27)17-23(38-6)15-13-11-10-12-14-16-25(35)39-7/h10,12-16,21-24,26-29,31,36H,1,11,17-19H2,2-9H3,(H,34,37)/b12-10+,15-13+,16-14+/t21-,22-,23?,24-,26+,27+,28-,29-,31+,33-/m0/s1 |
| InChIKey | GCAHOMDJDGLSQI-UNQGKCSSSA-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 | 637.768 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI2647 |