| SpectraBase Compound ID | GeA05bAeLqr |
|---|---|
| InChI | InChI=1S/C53H52Cl2N8O17/c1-19(2)10-29(57-3)47(71)62-42-44(68)21-5-8-33(27(54)12-21)79-35-14-23-15-36(46(35)70)80-34-9-6-22(13-28(34)55)45(69)43-52(76)61-41(53(77)78)26-16-24(64)17-32(66)38(26)25-11-20(4-7-31(25)65)39(49(73)63-43)60-50(74)40(23)59-48(72)30(18-37(56)67)58-51(42)75/h4-9,11-17,19,29-30,39-45,57,64-66,68-70H,10,18H2,1-3H3,(H2,56,67)(H,58,75)(H,59,72)(H,60,74)(H,61,76)(H,62,71)(H,63,73)(H,77,78)/t29-,30+,39-,40-,41-,42-,43+,44-,45-/m1/s1 |
| InChIKey | JHIKFOISFAQTJQ-POFQEPMASA-N |
| Mol Weight | 1143.9 g/mol |
| Molecular Formula | C53H52Cl2N8O17 |
| Exact Mass | 1142.282748 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8FbJFeBQ64p |
|---|---|
| Name | JHIKFOISFAQTJQ-POFQEPMASA-N |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H52Cl2N8O17 |
| InChI | InChI=1S/C53H52Cl2N8O17/c1-19(2)10-29(57-3)47(71)62-42-44(68)21-5-8-33(27(54)12-21)79-35-14-23-15-36(46(35)70)80-34-9-6-22(13-28(34)55)45(69)43-52(76)61-41(53(77)78)26-16-24(64)17-32(66)38(26)25-11-20(4-7-31(25)65)39(49(73)63-43)60-50(74)40(23)59-48(72)30(18-37(56)67)58-51(42)75/h4-9,11-17,19,29-30,39-45,57,64-66,68-70H,10,18H2,1-3H3,(H2,56,67)(H,58,75)(H,59,72)(H,60,74)(H,61,76)(H,62,71)(H,63,73)(H,77,78)/t29-,30+,39-,40-,41-,42-,43+,44-,45-/m1/s1 |
| InChIKey | JHIKFOISFAQTJQ-POFQEPMASA-N |
| Literature Reference Author | F.SZTARIESKAI,G.BATTA,P.HERCZEGH,A.BALAZS,J.JEKO,E.ROTH,P.T. SZABO,S.KARDOS,F.ROZ |
| Literature Reference Citation | J.ANTIBIOTICS,59,564(2006) |
| Literature Reference DOI | 10.1038/ja.2006.77 |
| Molecular Weight | 1143.945 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMB367 |