| SpectraBase Compound ID | CqFDxJKpp9w |
|---|---|
| InChI | InChI=1S/C40H66N4O9/c1-13-26(6)35(43(10)38(47)33(24(2)3)41-37(46)34(25(4)5)42(8)9)30(51-11)23-32(45)44-21-17-20-29(44)36(52-12)27(7)40(50)53-31(39(48)49)22-28-18-15-14-16-19-28/h14-16,18-19,24-27,29-31,33-36H,13,17,20-23H2,1-12H3,(H,41,46)(H,48,49)/t26-,27+,29-,30+,31+,33-,34-,35-,36+/m1/s1 |
| InChIKey | PFMWLSLCVYOPSJ-CIMAXFCCSA-N |
| Mol Weight | 747.0 g/mol |
| Molecular Formula | C40H66N4O9 |
| Exact Mass | 746.48298 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8y49HXqrHHw |
|---|---|
| Name | SYMPLOSTATIN-3;MAJOR-CONFORMER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H66N4O9 |
| InChI | InChI=1S/C40H66N4O9/c1-13-26(6)35(43(10)38(47)33(24(2)3)41-37(46)34(25(4)5)42(8)9)30(51-11)23-32(45)44-21-17-20-29(44)36(52-12)27(7)40(50)53-31(39(48)49)22-28-18-15-14-16-19-28/h14-16,18-19,24-27,29-31,33-36H,13,17,20-23H2,1-12H3,(H,41,46)(H,48,49)/t26-,27+,29-,30+,31+,33-,34-,35-,36+/m1/s1 |
| InChIKey | PFMWLSLCVYOPSJ-CIMAXFCCSA-N |
| Literature Reference Author | H.LUESCH,W.Y.YOSHIDA,R.E.MOORE,V.J.PAUL,S.L.MOOBERRY,T.H.COR BETT |
| Literature Reference Citation | J.NAT.PROD.,65,16(2002) |
| Literature Reference DOI | 10.1021/np010317s |
| Molecular Weight | 746.985 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI2614 |