| SpectraBase Compound ID | 9q55E9YaEBX |
|---|---|
| InChI | InChI=1S/C36H52N6O6S/c1-9-36(7,8)48-22(6)29-33(46)40-28(21(4)5)34-38-25(19-49-34)30(43)39-27(20(2)3)32(45)37-24(18-23-14-11-10-12-15-23)35(47)42-17-13-16-26(42)31(44)41-29/h9-12,14-15,20-22,24-29H,1,13,16-19H2,2-8H3,(H,37,45)(H,39,43)(H,40,46)(H,41,44)/t22-,24-,25-,26-,27-,28-,29-/m0/s1 |
| InChIKey | DXCFOKOBTQHBHK-XMKWUEEFSA-N |
| Mol Weight | 696.9 g/mol |
| Molecular Formula | C36H52N6O6S |
| Exact Mass | 696.366905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I9UO0ffr4zK |
|---|---|
| Name | MOLLAMIDE_B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H52N6O6S |
| InChI | InChI=1S/C36H52N6O6S/c1-9-36(7,8)48-22(6)29-33(46)40-28(21(4)5)34-38-25(19-49-34)30(43)39-27(20(2)3)32(45)37-24(18-23-14-11-10-12-15-23)35(47)42-17-13-16-26(42)31(44)41-29/h9-12,14-15,20-22,24-29H,1,13,16-19H2,2-8H3,(H,37,45)(H,39,43)(H,40,46)(H,41,44)/t22-,24-,25-,26-,27-,28-,29-/m0/s1 |
| InChIKey | DXCFOKOBTQHBHK-XMKWUEEFSA-N |
| Literature Reference Author | M.S.DONIA,B.WANG,D.C.DUNBAR,P.V.DESAI,A.PATNY,M.AVERY,M.T.HA MANN |
| Literature Reference Citation | J.NAT.PROD.,71,941(2008) |
| Literature Reference DOI | 10.1021/np700718p |
| Molecular Weight | 696.905 g/mol |
| Sample ID | 28365 |
| Solvent | CDCl3 |