| SpectraBase Compound ID | Ce7yPuP87Kq |
|---|---|
| InChI | InChI=1S/C45H69N9O10S2/c1-7-27(4)38-43(62)50-32(23-28-12-14-29(55)15-13-28)40(59)51-33(22-26(2)3)45(64)54-19-9-11-35(54)42(61)49-31(17-21-66-6)44(63)53-18-8-10-34(53)41(60)47-24-36(56)48-30(16-20-65-5)39(58)46-25-37(57)52-38/h12-15,26-27,30-35,38,55H,7-11,16-25H2,1-6H3,(H,46,58)(H,47,60)(H,48,56)(H,49,61)(H,50,62)(H,51,59)(H,52,57)/t27?,30-,31+,32+,33-,34+,35-,38-/m1/s1 |
| InChIKey | MSOKWXAMNQYLTA-WGZBLDHMSA-N |
| Mol Weight | 960.2 g/mol |
| Molecular Formula | C45H69N9O10S2 |
| Exact Mass | 959.460882 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Ho2O6M6vzMq |
|---|---|
| Name | CHERIMOLACYCLOPEPTIDE_F;CYCLO-(PRO-(1)-GLY-(2)-MET-(3)-GLY-(4)-ILE-(5)-TYR-(6)-LEU-(7)-PRO-(8)-MET-(9)) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H69N9O10S2 |
| InChI | InChI=1S/C45H69N9O10S2/c1-7-27(4)38-43(62)50-32(23-28-12-14-29(55)15-13-28)40(59)51-33(22-26(2)3)45(64)54-19-9-11-35(54)42(61)49-31(17-21-66-6)44(63)53-18-8-10-34(53)41(60)47-24-36(56)48-30(16-20-65-5)39(58)46-25-37(57)52-38/h12-15,26-27,30-35,38,55H,7-11,16-25H2,1-6H3,(H,46,58)(H,47,60)(H,48,56)(H,49,61)(H,50,62)(H,51,59)(H,52,57)/t27?,30-,31+,32+,33-,34+,35-,38-/m1/s1 |
| InChIKey | MSOKWXAMNQYLTA-WGZBLDHMSA-N |
| Literature Reference Author | A.WELE,Y.ZHANG,J.P.BROUARD,J.L.POUSSET,B.BODO |
| Literature Reference Citation | PHYTOCHEM.,66,2376(2005) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.06.011 |
| Molecular Weight | 960.217 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ19722 |