| SpectraBase Compound ID | ANpNzbn0cve |
|---|---|
| InChI | InChI=1S/C42H66N10O11/c1-7-23(3)19-34(56)47-25(5)36(57)49-28-22-46-33(55)16-14-27(20-26-13-15-30(53)31(54)21-26)48-38(59)35(24(4)8-2)51-40(61)42(62,63-6)32(12-9-17-45-41(43)44)50-37(58)29-11-10-18-52(29)39(28)60/h13-16,21,23-25,27-29,32,35,53-54,62H,7-12,17-20,22H2,1-6H3,(H,46,55)(H,47,56)(H,48,59)(H,49,57)(H,50,58)(H,51,61)(H4,43,44,45)/b16-14+/i6D3,62D |
| InChIKey | OPSCLYZPMLUBQB-JMWPVIMJSA-N |
| Mol Weight | 891.1 g/mol |
| Molecular Formula | C42H622H4N10O11 |
| Exact Mass | 890.51636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AvFJBBWvdWA |
|---|---|
| Name | CYCLOTHEONAMIDE-E5;MAJOR-CONFORMER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H622H4N10O11 |
| InChI | InChI=1S/C42H66N10O11/c1-7-23(3)19-34(56)47-25(5)36(57)49-28-22-46-33(55)16-14-27(20-26-13-15-30(53)31(54)21-26)48-38(59)35(24(4)8-2)51-40(61)42(62,63-6)32(12-9-17-45-41(43)44)50-37(58)29-11-10-18-52(29)39(28)60/h13-16,21,23-25,27-29,32,35,53-54,62H,7-12,17-20,22H2,1-6H3,(H,46,55)(H,47,56)(H,48,59)(H,49,57)(H,50,58)(H,51,61)(H4,43,44,45)/b16-14+/i6D3,62D |
| InChIKey | OPSCLYZPMLUBQB-JMWPVIMJSA-N |
| Literature Reference Author | Y.MURAKAMI,M.TAKEI,K.SHINDO,C.KITAZUME,J.TANAKA,T.HIGA,H.FUK AMACHI |
| Literature Reference Citation | J.NAT.PROD.,65,259(2002) |
| Literature Reference DOI | 10.1021/np010304e |
| Molecular Weight | 891.071 g/mol |
| Solvent | CD3OD |