| SpectraBase Compound ID | 1RpMKsV0d8n |
|---|---|
| InChI | InChI=1S/C47H66N8O9/c1-26(2)23-33-41(58)51-35(25-31-17-19-32(56)20-18-31)47(64)55-22-12-15-36(55)42(59)52-38(27(3)4)44(61)48-29(7)40(57)50-34(24-30-13-9-8-10-14-30)46(63)54-21-11-16-37(54)43(60)53-39(28(5)6)45(62)49-33/h8-10,13-14,17-20,26-29,33-39,56H,11-12,15-16,21-25H2,1-7H3,(H,48,61)(H,49,62)(H,50,57)(H,51,58)(H,52,59)(H,53,60)/t29-,33-,34-,35-,36-,37-,38-,39-/m0/s1 |
| InChIKey | MSXJTSHWDIEUFD-ZAMDTIOZSA-N |
| Mol Weight | 887.1 g/mol |
| Molecular Formula | C47H66N8O9 |
| Exact Mass | 886.495276 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LHvDQhP1j56 |
|---|---|
| Name | MICROTENIN_A;CYClO-(ALA-VAL-(1)-PRO-(1)-TYR-VAL-(2)-PHE) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H66N8O9 |
| InChI | InChI=1S/C47H66N8O9/c1-26(2)23-33-41(58)51-35(25-31-17-19-32(56)20-18-31)47(64)55-22-12-15-36(55)42(59)52-38(27(3)4)44(61)48-29(7)40(57)50-34(24-30-13-9-8-10-14-30)46(63)54-21-11-16-37(54)43(60)53-39(28(5)6)45(62)49-33/h8-10,13-14,17-20,26-29,33-39,56H,11-12,15-16,21-25H2,1-7H3,(H,48,61)(H,49,62)(H,50,57)(H,51,58)(H,52,59)(H,53,60)/t29-,33-,34-,35-,36-,37-,38-,39-/m0/s1 |
| InChIKey | MSXJTSHWDIEUFD-ZAMDTIOZSA-N |
| Literature Reference Author | C.Q.LI,B.G.LI,H.Y.QI,Q.L.LI,F.P.WANG,G.L.ZHANG |
| Literature Reference Citation | J.NAT.PROD.,67,978(2004) |
| Literature Reference DOI | 10.1021/np040021x |
| Molecular Weight | 887.089 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ7246 |