| SpectraBase Compound ID | 1LvxF2Q1JCX |
|---|---|
| InChI | InChI=1S/C45H61N7O8/c1-5-27(3)37-42(57)47-33(25-29-13-8-7-9-14-29)44(59)50-22-10-15-34(50)39(54)46-32(26-30-18-20-31(53)21-19-30)43(58)51-23-11-16-35(51)41(56)49-38(28(4)6-2)45(60)52-24-12-17-36(52)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 | QKAAFOFCOXIVQV-IPBAVMDASA-N |
| Mol Weight | 828.0 g/mol |
| Molecular Formula | C45H61N7O8 |
| Exact Mass | 827.458162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | lF0rqPCzbI |
|---|---|
| Name | PHAKELLISTATIN-1 |
| 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)50-22-10-15-34(50)39(54)46-32(26-30-18-20-31(53)21-19-30)43(58)51-23-11-16-35(51)41(56)49-38(28(4)6-2)45(60)52-24-12-17-36(52)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 | QKAAFOFCOXIVQV-IPBAVMDASA-N |
| Literature Reference Author | G.R.PETTIT,Z.CICHACZ,J.BARKOCZY,A.C.DORSAZ,D.L.HERALD,M.D.WI LLIAMS,D.L.DOUBEK,J. |
| Literature Reference Citation | J.NAT.PROD.,56,260(1993) |
| Literature Reference DOI | 10.1021/np50092a011 |
| Molecular Weight | 828.021 g/mol |
| Solvent | CD2Cl2 |
| Source File Reference | UWTS1161 |