| SpectraBase Compound ID | FyvsXoISpWs |
|---|---|
| InChI | InChI=1S/C49H73N9O8/c1-9-29(7)40-48(65)58-23-15-20-38(58)46(63)55-41(30(8)10-2)49(66)57-22-14-19-37(57)45(62)52-35(25-31-26-50-33-17-12-11-16-32(31)33)43(60)53-39(28(5)6)47(64)56-21-13-18-36(56)44(61)51-34(24-27(3)4)42(59)54-40/h11-12,16-17,26-30,34-41,50H,9-10,13-15,18-25H2,1-8H3,(H,51,61)(H,52,62)(H,53,60)(H,54,59)(H,55,63)/t29?,30?,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1 |
| InChIKey | MZDYKBQADUUMIO-UWDNFYKOSA-N |
| Mol Weight | 916.2 g/mol |
| Molecular Formula | C49H73N9O8 |
| Exact Mass | 915.55821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ERd5CBFsBOQ |
|---|---|
| Name | PHAKELLISTATIN_17;CYCLO-(PRO-(1)-TRP-VAL-PRO-(2)-LEU-ILE-PRO-(3)-ILE-(2)) |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H73N9O8 |
| InChI | InChI=1S/C49H73N9O8/c1-9-29(7)40-48(65)58-23-15-20-38(58)46(63)55-41(30(8)10-2)49(66)57-22-14-19-37(57)45(62)52-35(25-31-26-50-33-17-12-11-16-32(31)33)43(60)53-39(28(5)6)47(64)56-21-13-18-36(56)44(61)51-34(24-27(3)4)42(59)54-40/h11-12,16-17,26-30,34-41,50H,9-10,13-15,18-25H2,1-8H3,(H,51,61)(H,52,62)(H,53,60)(H,54,59)(H,55,63)/t29?,30?,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1 |
| InChIKey | MZDYKBQADUUMIO-UWDNFYKOSA-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 | 916.174 g/mol |
| Sample ID | 35279 |
| Solvent | DMSO-D6 |