| SpectraBase Compound ID | FEfnSubojzI |
|---|---|
| InChI | InChI=1S/C61H88O19/c1-27-15-34-8-11-38-28(2)16-36(66-38)13-14-59-24-47-55(79-59)56-57(73-47)58(80-59)54-40(71-56)12-9-35(68-54)17-49(65)74-53-32(6)52-44(69-43(53)19-41(67-34)31(27)5)20-42-46(72-52)23-61(75-42)25-48-51(78-61)30(4)22-60(77-48)21-29(3)50-45(76-60)18-37(64)39(70-50)10-7-33(63)26-62/h27,29-30,32-48,50-58,62-64H,2,5,7-26H2,1,3-4,6H3/t27-,29+,30-,32+,33?,34+,35-,36+,37-,38+,39-,40+,41-,42-,43+,44+,45+,46-,47-,48-,50+,51-,52+,53-,54+,55-,56?,57+,58+,59+,60+,61+/m1/s1 |
| InChIKey | JXBHDLRSXALKIY-BEOFAPPGSA-N |
| Mol Weight | 1125.4 g/mol |
| Molecular Formula | C61H88O19 |
| Exact Mass | 1124.591981 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5f3Bitvg8Cm |
|---|---|
| Name | NEOHOMOHALICHONDRIN-B |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H88O19 |
| InChI | InChI=1S/C61H88O19/c1-27-15-34-8-11-38-28(2)16-36(66-38)13-14-59-24-47-55(79-59)56-57(73-47)58(80-59)54-40(71-56)12-9-35(68-54)17-49(65)74-53-32(6)52-44(69-43(53)19-41(67-34)31(27)5)20-42-46(72-52)23-61(75-42)25-48-51(78-61)30(4)22-60(77-48)21-29(3)50-45(76-60)18-37(64)39(70-50)10-7-33(63)26-62/h27,29-30,32-48,50-58,62-64H,2,5,7-26H2,1,3-4,6H3/t27-,29+,30-,32+,33?,34+,35-,36+,37-,38+,39-,40+,41-,42-,43+,44+,45+,46-,47-,48-,50+,51-,52+,53-,54+,55-,56?,57+,58+,59+,60+,61+/m1/s1 |
| InChIKey | JXBHDLRSXALKIY-BEOFAPPGSA-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 | 1125.358 g/mol |
| Solvent | CDCl3;C5D5N=0.1% |
| Source File Reference | UWCS24268 |