| SpectraBase Compound ID | A45tMtwZcMi |
|---|---|
| InChI | InChI=1S/C83H152O33/c1-51(87)36-28-26-34-40-53(108-82-77(103-4)72(98)65(91)58(47-85)113-82)38-30-22-19-15-12-9-13-17-21-25-33-43-56-45-63(89)106-50-60-67(93)69(95)74(100)79(115-60)110-55(44-62(88)105-49-61-68(94)70(96)75(101)80(111-56)116-61)42-32-24-20-16-11-8-6-7-10-14-18-23-31-39-54(109-83-78(104-5)73(99)66(92)59(48-86)114-83)41-35-27-29-37-52(2)107-81-76(102-3)71(97)64(90)57(46-84)112-81/h51-61,64-87,90-101H,6-50H2,1-5H3/t51?,52?,53?,54?,55?,56?,57-,58-,59-,60+,61+,64-,65-,66-,67+,68+,69-,70-,71+,72+,73+,74+,75+,76-,77-,78-,79+,80+,81-,82-,83-/m1/s1 |
| InChIKey | UHXMKKIXCMBBAY-HHCLELICSA-N |
| Mol Weight | 1678.1 g/mol |
| Molecular Formula | C83H152O33 |
| Exact Mass | 1677.021587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FF5FWzyCQZh |
|---|---|
| Name | CYCLOVIRACIN-B1 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C83H152O33 |
| InChI | InChI=1S/C83H152O33/c1-51(87)36-28-26-34-40-53(108-82-77(103-4)72(98)65(91)58(47-85)113-82)38-30-22-19-15-12-9-13-17-21-25-33-43-56-45-63(89)106-50-60-67(93)69(95)74(100)79(115-60)110-55(44-62(88)105-49-61-68(94)70(96)75(101)80(111-56)116-61)42-32-24-20-16-11-8-6-7-10-14-18-23-31-39-54(109-83-78(104-5)73(99)66(92)59(48-86)114-83)41-35-27-29-37-52(2)107-81-76(102-3)71(97)64(90)57(46-84)112-81/h51-61,64-87,90-101H,6-50H2,1-5H3/t51?,52?,53?,54?,55?,56?,57-,58-,59-,60+,61+,64-,65-,66-,67+,68+,69-,70-,71+,72+,73+,74+,75+,76-,77-,78-,79+,80+,81-,82-,83-/m1/s1 |
| InChIKey | UHXMKKIXCMBBAY-HHCLELICSA-N |
| Literature Reference Author | A.FUERSTNER,M.ALBERT,J.MLYNARSKI,M.MATHEU |
| Literature Reference Citation | J.AM.CHEM.SOC.,124,1168(2002) |
| Literature Reference DOI | 10.1021/ja0175791 |
| Molecular Weight | 1678.100 g/mol |
| Sample ID | 47185 |
| Solvent | C5D5N |