| SpectraBase Compound ID | 3TzfbNN8tu4 |
|---|---|
| InChI | InChI=1S/C61H86O19/c1-27-15-34-7-9-38-28(2)16-36(66-38)11-13-59-25-47-55(79-59)56-57(73-47)58(80-59)54-39(70-56)10-8-35(68-54)18-49(65)74-53-32(6)52-44(69-43(53)20-40(67-34)31(27)5)21-42-46(72-52)24-61(75-42)26-48-51(78-61)30(4)23-60(77-48)22-29(3)50-45(76-60)19-37(64)41(71-50)17-33(63)12-14-62/h27,29-30,32,34-48,50-58,62,64H,2,5,7-26H2,1,3-4,6H3/t27-,29+,30-,32+,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 | WVWWZNXKZNACRW-VZOFCRNYSA-N |
| Mol Weight | 1123.3 g/mol |
| Molecular Formula | C61H86O19 |
| Exact Mass | 1122.576331 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8CPMX9p9Fii |
|---|---|
| Name | 38-EPI-ISOHOMOHALICHONDRIN-B |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H86O19 |
| InChI | InChI=1S/C61H86O19/c1-27-15-34-7-9-38-28(2)16-36(66-38)11-13-59-25-47-55(79-59)56-57(73-47)58(80-59)54-39(70-56)10-8-35(68-54)18-49(65)74-53-32(6)52-44(69-43(53)20-40(67-34)31(27)5)21-42-46(72-52)24-61(75-42)26-48-51(78-61)30(4)23-60(77-48)22-29(3)50-45(76-60)19-37(64)41(71-50)17-33(63)12-14-62/h27,29-30,32,34-48,50-58,62,64H,2,5,7-26H2,1,3-4,6H3/t27-,29+,30-,32+,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 | WVWWZNXKZNACRW-VZOFCRNYSA-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 | 1123.342 g/mol |
| Solvent | CDCl3;C5D5N=0.1% |
| Source File Reference | UWCS24270 |