| SpectraBase Compound ID | 2SI1QWdOjz0 |
|---|---|
| InChI | InChI=1S/C59H84O19/c1-26-13-31-7-9-36-27(2)14-33(64-36)11-12-57-22-45-52(77-57)53-54(70-45)55(78-57)51-37(68-53)10-8-32(66-51)15-47(63)71-50-30(5)49-42(67-41(50)17-38(65-31)29(26)4)18-40-43(69-49)21-58(73-40)23-46-48(76-58)28(3)19-59(75-46)25-56(6)20-44(74-59)39(72-56)16-34(61)35(62)24-60/h26,28,30-46,48-55,60-62H,2,4,7-25H2,1,3,5-6H3/t26-,28+,30+,31+,32-,33+,34?,35?,36+,37+,38-,39-,40-,41+,42+,43-,44-,45-,46+,48+,49+,50-,51+,52-,53+,54+,55+,56-,57+,58+,59+/m1/s1 |
| InChIKey | NMHSETVAJJXPSA-QOMRXPJBSA-N |
| Mol Weight | 1097.3 g/mol |
| Molecular Formula | C59H84O19 |
| Exact Mass | 1096.56068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K864L3k7r5W |
|---|---|
| Name | NEONORHALICHONDRIN-B |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H84O19 |
| InChI | InChI=1S/C59H84O19/c1-26-13-31-7-9-36-27(2)14-33(64-36)11-12-57-22-45-52(77-57)53-54(70-45)55(78-57)51-37(68-53)10-8-32(66-51)15-47(63)71-50-30(5)49-42(67-41(50)17-38(65-31)29(26)4)18-40-43(69-49)21-58(73-40)23-46-48(76-58)28(3)19-59(75-46)25-56(6)20-44(74-59)39(72-56)16-34(61)35(62)24-60/h26,28,30-46,48-55,60-62H,2,4,7-25H2,1,3,5-6H3/t26-,28+,30+,31+,32-,33+,34?,35?,36+,37+,38-,39-,40-,41+,42+,43-,44-,45-,46+,48+,49+,50-,51+,52-,53+,54+,55+,56-,57+,58+,59+/m1/s1 |
| InChIKey | NMHSETVAJJXPSA-QOMRXPJBSA-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 | 1097.305 g/mol |
| Solvent | CDCl3;C5D5N=0.1% |
| Source File Reference | UWCS24267 |