| SpectraBase Compound ID | FpxcppH03y0 |
|---|---|
| InChI | InChI=1S/C54H58N8O12S/c1-32-29-61(52(66)57-49(32)64)47-26-41(45(74-47)31-72-54(34-12-8-7-9-13-34,35-18-22-37(70-5)23-19-35)36-20-24-38(71-6)25-21-36)56-51(55-28-44-43(63)27-48(73-44)62-30-33(2)50(65)58-53(62)67)59-75(68,69)46-17-11-14-39-40(46)15-10-16-42(39)60(3)4/h7-25,29-30,41,43-45,47-48,63H,26-28,31H2,1-6H3,(H2,55,56,59)(H,57,64,66)(H,58,65,67)/t41-,43-,44+,45+,47+,48+/m0/s1 |
| InChIKey | ASAJHUCWVLQJOH-LXCUMAKKSA-N |
| Mol Weight | 1043.2 g/mol |
| Molecular Formula | C54H58N8O12S |
| Exact Mass | 1042.389491 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7iRL3NjMJ7q |
|---|---|
| Name | ASAJHUCWVLQJOH-LXCUMAKKSA-N |
| Compound Number | 6F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H58N8O12S |
| InChI | InChI=1S/C54H58N8O12S/c1-32-29-61(52(66)57-49(32)64)47-26-41(45(74-47)31-72-54(34-12-8-7-9-13-34,35-18-22-37(70-5)23-19-35)36-20-24-38(71-6)25-21-36)56-51(55-28-44-43(63)27-48(73-44)62-30-33(2)50(65)58-53(62)67)59-75(68,69)46-17-11-14-39-40(46)15-10-16-42(39)60(3)4/h7-25,29-30,41,43-45,47-48,63H,26-28,31H2,1-6H3,(H2,55,56,59)(H,57,64,66)(H,58,65,67)/t41-,43-,44+,45+,47+,48+/m0/s1 |
| InChIKey | ASAJHUCWVLQJOH-LXCUMAKKSA-N |
| Literature Reference Author | F.VANDENDRIESSCHE,A.VANAERSCHOT,M.VOORTMANS,G.JANSSEN,R.BUSS ON,A.VANOVERBEKE,W.V |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1567(1993) |
| Literature Reference DOI | 10.1039/p19930001567 |
| Molecular Weight | 1043.161 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP6723 |