| SpectraBase Compound ID | KiGYcKLHFik |
|---|---|
| InChI | InChI=1S/C49H67N9O10/c1-5-29(4)41-49(68)58-23-11-15-38(58)45(64)54-35(24-28(2)3)47(66)56-21-9-14-37(56)44(63)52-33(25-30-12-7-6-8-13-30)42(61)51-34(27-40(50)60)43(62)53-36(26-31-17-19-32(59)20-18-31)48(67)57-22-10-16-39(57)46(65)55-41/h6-8,12-13,17-20,28-29,33-39,41,59H,5,9-11,14-16,21-27H2,1-4H3,(H2,50,60)(H,51,61)(H,52,63)(H,53,62)(H,54,64)(H,55,65)/t29?,33-,34-,35-,36-,37-,38-,39-,41-/m1/s1 |
| InChIKey | VNONERHYIDZCSK-NQHRDYRISA-N |
| Mol Weight | 942.1 g/mol |
| Molecular Formula | C49H67N9O10 |
| Exact Mass | 941.501089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H8jze859QmR |
|---|---|
| Name | MICROTENIN_C;CYClO-(PRO-(1)-TYR-ASN-PHE-PRO-(2)-LEU-PRO-(3)-ILE) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H67N9O10 |
| InChI | InChI=1S/C49H67N9O10/c1-5-29(4)41-49(68)58-23-11-15-38(58)45(64)54-35(24-28(2)3)47(66)56-21-9-14-37(56)44(63)52-33(25-30-12-7-6-8-13-30)42(61)51-34(27-40(50)60)43(62)53-36(26-31-17-19-32(59)20-18-31)48(67)57-22-10-16-39(57)46(65)55-41/h6-8,12-13,17-20,28-29,33-39,41,59H,5,9-11,14-16,21-27H2,1-4H3,(H2,50,60)(H,51,61)(H,52,63)(H,53,62)(H,54,64)(H,55,65)/t29?,33-,34-,35-,36-,37-,38-,39-,41-/m1/s1 |
| InChIKey | VNONERHYIDZCSK-NQHRDYRISA-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 | 942.125 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ7248 |