| SpectraBase Compound ID | I8GE8AqBYLm |
|---|---|
| InChI | InChI=1S/C51H74N4O16/c1-30(18-19-42(71-51(61)45(65-11)28-62-8)34(5)48(69-35(6)57)31(2)20-21-55(7)29-56)43(64-10)24-44-33(4)41(63-9)16-13-17-46-52-39(26-66-46)49-54-40(27-68-49)50-53-38(25-67-50)32(3)22-36(58)14-12-15-37(59)23-47(60)70-44/h13,17,20-21,25-27,29-34,37,41-45,48,59H,12,14-16,18-19,22-24,28H2,1-11H3/b17-13+,21-20+ |
| InChIKey | IRCDNHGYZIAYSJ-NLIDQGKYSA-N |
| Mol Weight | 999.2 g/mol |
| Molecular Formula | C51H74N4O16 |
| Exact Mass | 998.509982 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 66VqOJS4l9n |
|---|---|
| Name | Ulapualide-B major isomer |
| CAS Registry Number | 100045-74-7 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C51H74N4O16 |
| InChI | InChI=1S/C51H74N4O16/c1-30(18-19-42(71-51(61)45(65-11)28-62-8)34(5)48(69-35(6)57)31(2)20-21-55(7)29-56)43(64-10)24-44-33(4)41(63-9)16-13-17-46-52-39(26-66-46)49-54-40(27-68-49)50-53-38(25-67-50)32(3)22-36(58)14-12-15-37(59)23-47(60)70-44/h13,17,20-21,25-27,29-34,37,41-45,48,59H,12,14-16,18-19,22-24,28H2,1-11H3/b17-13+,21-20+ |
| InChIKey | IRCDNHGYZIAYSJ-NLIDQGKYSA-N |
| Literature Reference | J.A. Roesener, P.J. Scheurer, J. Am. Chem. Soc. 108, 846 (1986). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CD3OD |