| SpectraBase Compound ID | 866QQfGkc86 |
|---|---|
| InChI | InChI=1S/C60H86O19/c1-26-13-33-7-9-37-27(2)14-35(65-37)11-12-58-23-46-54(78-58)55-56(72-46)57(79-58)53-38(69-55)10-8-34(67-53)16-48(64)73-52-31(6)51-43(68-42(52)17-39(66-33)30(26)5)19-41-45(71-51)22-60(74-41)24-47-50(77-60)29(4)21-59(76-47)20-28(3)49-44(75-59)18-40(70-49)36(63)15-32(62)25-61/h26,28-29,31-47,49-57,61-63H,2,5,7-25H2,1,3-4,6H3/t26-,28+,29-,31+,32?,33+,34-,35+,36?,37+,38+,39-,40+,41-,42+,43+,44+,45-,46-,47-,49+,50-,51+,52-,53+,54-,55+,56+,57+,58+,59+,60+/m1/s1 |
| InChIKey | FXNFULJVOQMBCW-RAUOCRPKSA-N |
| Mol Weight | 1111.3 g/mol |
| Molecular Formula | C60H86O19 |
| Exact Mass | 1110.576331 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 39OzHMTx26A |
|---|---|
| Name | HALICHONDRIN-B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H86O19 |
| InChI | InChI=1S/C60H86O19/c1-26-13-33-7-9-37-27(2)14-35(65-37)11-12-58-23-46-54(78-58)55-56(72-46)57(79-58)53-38(69-55)10-8-34(67-53)16-48(64)73-52-31(6)51-43(68-42(52)17-39(66-33)30(26)5)19-41-45(71-51)22-60(74-41)24-47-50(77-60)29(4)21-59(76-47)20-28(3)49-44(75-59)18-40(70-49)36(63)15-32(62)25-61/h26,28-29,31-47,49-57,61-63H,2,5,7-25H2,1,3-4,6H3/t26-,28+,29-,31+,32?,33+,34-,35+,36?,37+,38+,39-,40+,41-,42+,43+,44+,45-,46-,47-,49+,50-,51+,52-,53+,54-,55+,56+,57+,58+,59+,60+/m1/s1 |
| InChIKey | FXNFULJVOQMBCW-RAUOCRPKSA-N |
| Literature Reference Author | M.LITAUDON,S.J.H.HICKFORD,R.E.LILL,R.J.LAKE,J.W.BLUNT,M.H.G. MUNRO |
| Literature Reference Citation | J.ORG.CHEM.,62,1868(1997) |
| Literature Reference DOI | 10.1021/jo962231n |
| Molecular Weight | 1111.331 g/mol |
| Solvent | CDCl3;C5D5N=0.1% |
| Source File Reference | UWCS24265 |