| SpectraBase Compound ID | 6RuoHQKAYOY |
|---|---|
| InChI | InChI=1S/C56H85NO13/c1-31-9-8-12-50-56(6)37(19-20-57-50)24-36-25-40-27-43(59)53(65)47(67-40)11-7-10-32(2)22-45(61)55-46(62)28-41(69-55)29-51(63)68-39(21-33(3)13-15-34(4)42(56)26-36)23-35(5)52(64)49-30-44(60)54(66)48(70-49)18-17-38(58)16-14-31/h9,14-16,23,26,33,37-49,52-55,58-62,64-66H,2,7-8,10-13,17-22,24-25,27-30H2,1,3-6H3/b16-14+,31-9+,34-15+,35-23+ |
| InChIKey | XZXZSKRRHGFIQS-YFHRIDBKSA-N |
| Mol Weight | 980.3 g/mol |
| Molecular Formula | C56H85NO13 |
| Exact Mass | 979.602092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FSC94GbxDT4 |
|---|---|
| Name | Prorocentrolide |
| Comments | ASSIGNEMENT BY DIFFERENT TECHNIQUES |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C56H85NO13 |
| InChI | InChI=1S/C56H85NO13/c1-31-9-8-12-50-56(6)37(19-20-57-50)24-36-25-40-27-43(59)53(65)47(67-40)11-7-10-32(2)22-45(61)55-46(62)28-41(69-55)29-51(63)68-39(21-33(3)13-15-34(4)42(56)26-36)23-35(5)52(64)49-30-44(60)54(66)48(70-49)18-17-38(58)16-14-31/h9,14-16,23,26,33,37-49,52-55,58-62,64-66H,2,7-8,10-13,17-22,24-25,27-30H2,1,3-6H3/b16-14+,31-9+,34-15+,35-23+ |
| InChIKey | XZXZSKRRHGFIQS-YFHRIDBKSA-N |
| Instrument Name | Bruker AM-500 |
| Literature Reference | K. Torigoe, M. Murata, T. Yasumoto, J. Am. Chem. Soc. 110, 7876 (1988). |
| NMR Standard | DMSO-D6 |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |