| SpectraBase Compound ID | I8ZD9ZX6dtT |
|---|---|
| InChI | InChI=1S/C51H86N6O9.ClH/c1-6-43-25-19-20-30-50(66-43)36-42-27-28-45-47(51(31-22-24-38(2)65-51)55-49(54-50)57(42)45)48(62)63-35-21-17-15-13-11-9-7-8-10-12-14-16-18-26-46(61)56(34-23-32-52-39(3)58)37-44(64-41(5)60)29-33-53-40(4)59;/h19,25,38,42-45,47H,6-18,20-24,26-37H2,1-5H3,(H,52,58)(H,53,59)(H,54,55);1H/t38-,42+,43-,44?,45-,47-,50+,51-;/m0./s1 |
| InChIKey | XZDXJPVSUXUCPN-CODUCBQUSA-N |
| Mol Weight | 963.7 g/mol |
| Molecular Formula | C51H87ClN6O9 |
| Exact Mass | 962.622306 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7S2njRz5haL |
|---|---|
| Name | PERACETYLCRAMBESCIDINE-800 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H87ClN6O9 |
| InChI | InChI=1S/C51H86N6O9.ClH/c1-6-43-25-19-20-30-50(66-43)36-42-27-28-45-47(51(31-22-24-38(2)65-51)55-49(54-50)57(42)45)48(62)63-35-21-17-15-13-11-9-7-8-10-12-14-16-18-26-46(61)56(34-23-32-52-39(3)58)37-44(64-41(5)60)29-33-53-40(4)59;/h19,25,38,42-45,47H,6-18,20-24,26-37H2,1-5H3,(H,52,58)(H,53,59)(H,54,55);1H/t38-,42+,43-,44?,45-,47-,50+,51-;/m0./s1 |
| InChIKey | XZDXJPVSUXUCPN-CODUCBQUSA-N |
| Literature Reference Author | R.G.S.BERLINCK,J.C.BRAEKMAN,D.DALOZE,I.BRUNO,R.RICCIO,S.FERR I,S.SPAMPINATO,E.SP |
| Literature Reference Citation | J.NAT.PROD.,56,1007(1993) |
| Literature Reference DOI | 10.1021/np50097a004 |
| Molecular Weight | 963.740 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS174 |