| SpectraBase Compound ID | FNDXtyxMTYA |
|---|---|
| InChI | InChI=1S/C45H61N7O8/c1-5-27(3)37-42(57)47-33(25-29-13-8-7-9-14-29)44(59)51-23-11-17-36(51)41(56)49-38(28(4)6-2)45(60)52-24-12-15-34(52)39(54)46-32(26-30-18-20-31(53)21-19-30)43(58)50-22-10-16-35(50)40(55)48-37/h7-9,13-14,18-21,27-28,32-38,53H,5-6,10-12,15-17,22-26H2,1-4H3,(H,46,54)(H,47,57)(H,48,55)(H,49,56)/t27?,28?,32-,33+,34-,35-,36-,37-,38-/m0/s1 |
| InChIKey | PPBMKOPYMFQWPM-QEHJJXGLSA-N |
| Mol Weight | 828.0 g/mol |
| Molecular Formula | C45H61N7O8 |
| Exact Mass | 827.458162 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 | Cb9sotPSrhw |
|---|---|
| Name | PHAKELLISTATIN_18;CYCLO-(L-PRO-L-TYR-L-PRO-L-ILE-L-PHE-L-PRO-L-ILE) |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H61N7O8 |
| InChI | InChI=1S/C45H61N7O8/c1-5-27(3)37-42(57)47-33(25-29-13-8-7-9-14-29)44(59)51-23-11-17-36(51)41(56)49-38(28(4)6-2)45(60)52-24-12-15-34(52)39(54)46-32(26-30-18-20-31(53)21-19-30)43(58)50-22-10-16-35(50)40(55)48-37/h7-9,13-14,18-21,27-28,32-38,53H,5-6,10-12,15-17,22-26H2,1-4H3,(H,46,54)(H,47,57)(H,48,55)(H,49,56)/t27?,28?,32-,33+,34-,35-,36-,37-,38-/m0/s1 |
| InChIKey | PPBMKOPYMFQWPM-QEHJJXGLSA-N |
| Literature Reference Author | H.J.ZHANG,Y.H.YI,G.J.YANG,M.Y.HU,G.D.CAO,F.YANG,H.W.LIN |
| Literature Reference Citation | J.NAT.PROD.,73,650(2010) |
| Literature Reference DOI | 10.1021/np9008267 |
| Molecular Weight | 828.021 g/mol |
| Sample ID | 35282 |
| Solvent | DMSO-D6 |