| SpectraBase Compound ID | 625cLJsj90f |
|---|---|
| InChI | InChI=1S/C46H64N4O13/c1-27(16-17-38(55)30(4)44(62-32(6)52)28(2)18-19-50(7)26-51)40(58-9)22-41-31(5)39(57-8)14-11-15-42-47-36(24-59-42)45-49-37(25-61-45)46-48-35(23-60-46)29(3)20-33(53)12-10-13-34(54)21-43(56)63-41/h11,15,18-19,23-31,34,39-41,44,54H,10,12-14,16-17,20-22H2,1-9H3/b15-11+,19-18+ |
| InChIKey | LVCVJHOYJVOSGI-IPGLUOITSA-N |
| Mol Weight | 881.0 g/mol |
| Molecular Formula | C46H64N4O13 |
| Exact Mass | 880.446988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JErYZ9ZYkvY |
|---|---|
| Name | Ulapualide-A major isomer |
| CAS Registry Number | 100045-73-6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C46H64N4O13 |
| InChI | InChI=1S/C46H64N4O13/c1-27(16-17-38(55)30(4)44(62-32(6)52)28(2)18-19-50(7)26-51)40(58-9)22-41-31(5)39(57-8)14-11-15-42-47-36(24-59-42)45-49-37(25-61-45)46-48-35(23-60-46)29(3)20-33(53)12-10-13-34(54)21-43(56)63-41/h11,15,18-19,23-31,34,39-41,44,54H,10,12-14,16-17,20-22H2,1-9H3/b15-11+,19-18+ |
| InChIKey | LVCVJHOYJVOSGI-IPGLUOITSA-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 |