| SpectraBase Compound ID | 9IcuXwtHcZl |
|---|---|
| InChI | InChI=1S/C53H53ClN8O17/c1-20(2)12-30(56-3)47(70)61-43-45(68)23-7-11-34(29(54)14-23)79-36-16-24-15-35(46(36)69)78-26-8-4-21(5-9-26)44(67)42-52(75)60-41(53(76)77)28-17-25(63)18-33(65)38(28)27-13-22(6-10-32(27)64)39(49(72)62-42)59-50(73)40(24)58-48(71)31(19-37(55)66)57-51(43)74/h4-11,13-18,20,30-31,39-45,56,63-65,67-69H,12,19H2,1-3H3,(H2,55,66)(H,57,74)(H,58,71)(H,59,73)(H,60,75)(H,61,70)(H,62,72)(H,76,77)/t30-,31+,39-,40-,41-,42+,43-,44-,45-/m1/s1 |
| InChIKey | RWFDKJBPMLNBSI-MBXPVQBXSA-N |
| Mol Weight | 1109.5 g/mol |
| Molecular Formula | C53H53ClN8O17 |
| Exact Mass | 1108.32172 g/mol |
15N Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 94BLleUgcmm |
|---|---|
| Name | RWFDKJBPMLNBSI-MBXPVQBXSA-N |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H53ClN8O17 |
| InChI | InChI=1S/C53H53ClN8O17/c1-20(2)12-30(56-3)47(70)61-43-45(68)23-7-11-34(29(54)14-23)79-36-16-24-15-35(46(36)69)78-26-8-4-21(5-9-26)44(67)42-52(75)60-41(53(76)77)28-17-25(63)18-33(65)38(28)27-13-22(6-10-32(27)64)39(49(72)62-42)59-50(73)40(24)58-48(71)31(19-37(55)66)57-51(43)74/h4-11,13-18,20,30-31,39-45,56,63-65,67-69H,12,19H2,1-3H3,(H2,55,66)(H,57,74)(H,58,71)(H,59,73)(H,60,75)(H,61,70)(H,62,72)(H,76,77)/t30-,31+,39-,40-,41-,42+,43-,44-,45-/m1/s1 |
| InChIKey | RWFDKJBPMLNBSI-MBXPVQBXSA-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 |
| Solvent | DMSO-D6 |
| Source File Reference | UWMB366 |