| SpectraBase Compound ID | 5LD0NA5u1Di |
|---|---|
| InChI | InChI=1S/C62H88O19/c1-28-16-34-8-10-37-29(2)17-36(66-37)12-13-60-26-47-55(80-60)56-57(73-47)58(81-60)54-38(70-56)11-9-35(68-54)18-49(64)74-53-33(6)52-43(69-42(53)19-39(67-34)32(28)5)20-40-46(72-52)25-62(76-40)27-48-51(79-62)31(4)23-61(78-48)22-30(3)50-44(77-61)21-41-45(71-50)24-59(65-7,75-41)14-15-63/h28,30-31,33-48,50-58,63H,2,5,8-27H2,1,3-4,6-7H3/t28-,30+,31-,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+,62+/m1/s1 |
| InChIKey | ZRPJTGQMPNXNKY-LCLFECIBSA-N |
| Mol Weight | 1137.4 g/mol |
| Molecular Formula | C62H88O19 |
| Exact Mass | 1136.591981 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DsukLK4lKbP |
|---|---|
| Name | 55-METHOXYNEOISOHOMOHALICHONDRIN-B |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H88O19 |
| InChI | InChI=1S/C62H88O19/c1-28-16-34-8-10-37-29(2)17-36(66-37)12-13-60-26-47-55(80-60)56-57(73-47)58(81-60)54-38(70-56)11-9-35(68-54)18-49(64)74-53-33(6)52-43(69-42(53)19-39(67-34)32(28)5)20-40-46(72-52)25-62(76-40)27-48-51(79-62)31(4)23-61(78-48)22-30(3)50-44(77-61)21-41-45(71-50)24-59(65-7,75-41)14-15-63/h28,30-31,33-48,50-58,63H,2,5,8-27H2,1,3-4,6-7H3/t28-,30+,31-,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+,62+/m1/s1 |
| InChIKey | ZRPJTGQMPNXNKY-LCLFECIBSA-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 | 1137.369 g/mol |
| Solvent | CDCl3;C5D5N=0.1% |
| Source File Reference | UWCS24269 |