| SpectraBase Compound ID | 5xrP5YpqAji |
|---|---|
| InChI | InChI=1S/C45H56N8O8/c1-27(2)38-44(60)51-34(24-31-17-10-6-11-18-31)42(58)50-33(23-30-15-8-5-9-16-30)41(57)48-29(4)40(56)47-28(3)39(55)46-26-37(54)49-35(25-32-19-12-7-13-20-32)45(61)53-22-14-21-36(53)43(59)52-38/h5-13,15-20,27-29,33-36,38H,14,21-26H2,1-4H3,(H,46,55)(H,47,56)(H,48,57)(H,49,54)(H,50,58)(H,51,60)(H,52,59)/t28-,29-,33-,34-,35-,36-,38-/m1/s1 |
| InChIKey | OQEDQPROIDLGAM-SBPMYVHWSA-N |
| Mol Weight | 837.0 g/mol |
| Molecular Formula | C45H56N8O8 |
| Exact Mass | 836.422111 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6q20sPNid7A |
|---|---|
| Name | MICROTENIN_B;CYClO-(PHE-(1)-PHE-(2)-VAL-PRO-PHE-(3)-GLY-ALA-(1)-ALA-(2)) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H56N8O8 |
| InChI | InChI=1S/C45H56N8O8/c1-27(2)38-44(60)51-34(24-31-17-10-6-11-18-31)42(58)50-33(23-30-15-8-5-9-16-30)41(57)48-29(4)40(56)47-28(3)39(55)46-26-37(54)49-35(25-32-19-12-7-13-20-32)45(61)53-22-14-21-36(53)43(59)52-38/h5-13,15-20,27-29,33-36,38H,14,21-26H2,1-4H3,(H,46,55)(H,47,56)(H,48,57)(H,49,54)(H,50,58)(H,51,60)(H,52,59)/t28-,29-,33-,34-,35-,36-,38-/m1/s1 |
| InChIKey | OQEDQPROIDLGAM-SBPMYVHWSA-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 | 836.988 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ7247 |