| SpectraBase Compound ID | 19Iihot3jPL |
|---|---|
| InChI | InChI=1S/C54H72N2O12/c1-25-30-16-43-54(66-43)49(30,24-64-52(25)40(60)21-44(3,4)67-52)39(59)18-37-47(7)20-36-34(14-28(47)11-12-50(37,54)62)55-35-19-46(6)27(13-33(35)56-36)9-10-29-31(46)15-38(58)48(8)32(29)17-42-51(48,63)26(2)53(65-42)41(61)22-45(5,23-57)68-53/h17-18,25-31,38,40-43,57-58,60-63H,9-16,19-24H2,1-8H3/t25?,26-,27-,28-,29+,30+,31-,38+,40-,41+,42-,43-,45-,46-,47-,48+,49-,50-,51+,52-,53-,54-/m0/s1 |
| InChIKey | HDXIKQGPMMNJIT-BDTGDOLISA-N |
| Mol Weight | 941.2 g/mol |
| Molecular Formula | C54H72N2O12 |
| Exact Mass | 940.508526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KdrTs0U6tML |
|---|---|
| Name | CEPHALOSTATIN-14 |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H72N2O12 |
| InChI | InChI=1S/C54H72N2O12/c1-25-30-16-43-54(66-43)49(30,24-64-52(25)40(60)21-44(3,4)67-52)39(59)18-37-47(7)20-36-34(14-28(47)11-12-50(37,54)62)55-35-19-46(6)27(13-33(35)56-36)9-10-29-31(46)15-38(58)48(8)32(29)17-42-51(48,63)26(2)53(65-42)41(61)22-45(5,23-57)68-53/h17-18,25-31,38,40-43,57-58,60-63H,9-16,19-24H2,1-8H3/t25?,26-,27-,28-,29+,30+,31-,38+,40-,41+,42-,43-,45-,46-,47-,48+,49-,50-,51+,52-,53-,54-/m0/s1 |
| InChIKey | HDXIKQGPMMNJIT-BDTGDOLISA-N |
| Literature Reference Author | G.R.PETTIT,J.XU,Y.ICHIHARA,M.D.WILLIAMS,M.R.BOYD |
| Literature Reference Citation | CAN.J.CHEM.,72,2260(1994) |
| Literature Reference DOI | 10.1139/v94-288 |
| Molecular Weight | 941.172 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWPR1561 |