| SpectraBase Compound ID | QEouwWz4Gw |
|---|---|
| InChI | InChI=1S/C48H71N9O9/c1-8-28(6)39-47(65)56-20-12-17-37(56)44(62)50-33(22-26(2)3)41(59)54-40(29(7)58)48(66)57-21-13-18-38(57)45(63)52-35(23-27(4)5)46(64)55-19-11-16-36(55)43(61)51-34(42(60)53-39)24-30-25-49-32-15-10-9-14-31(30)32/h9-10,14-15,25-29,33-40,49,58H,8,11-13,16-24H2,1-7H3,(H,50,62)(H,51,61)(H,52,63)(H,53,60)(H,54,59)/t28?,29?,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1 |
| InChIKey | WOEWBNNGDMOZJK-ZIWDKKGOSA-N |
| Mol Weight | 918.1 g/mol |
| Molecular Formula | C48H71N9O9 |
| Exact Mass | 917.537475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3XRADe3rnqo |
|---|---|
| Name | PHAKELLISTATIN_15;CYCLO-(PRO-(1)-TRP-ILE-PRO-(2)-LEU-(1)-THR-PRO-(3)-LEU-(2)) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H71N9O9 |
| InChI | InChI=1S/C48H71N9O9/c1-8-28(6)39-47(65)56-20-12-17-37(56)44(62)50-33(22-26(2)3)41(59)54-40(29(7)58)48(66)57-21-13-18-38(57)45(63)52-35(23-27(4)5)46(64)55-19-11-16-36(55)43(61)51-34(42(60)53-39)24-30-25-49-32-15-10-9-14-31(30)32/h9-10,14-15,25-29,33-40,49,58H,8,11-13,16-24H2,1-7H3,(H,50,62)(H,51,61)(H,52,63)(H,53,60)(H,54,59)/t28?,29?,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1 |
| InChIKey | WOEWBNNGDMOZJK-ZIWDKKGOSA-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 | 918.147 g/mol |
| Sample ID | 35278 |
| Solvent | DMSO-D6 |