| SpectraBase Compound ID | AkXTO2O0sli |
|---|---|
| InChI | InChI=1S/C43H78O17/c1-21-13-14-29(47)17-30(48)15-28(46)10-8-12-36(53)58-40-24(4)39(23(3)37(54)22(2)26(6)44)59-41(25(40)5)38(55)33(50)11-7-9-27(45)16-31(49)18-32-19-34(51)42(56)43(57,60-32)20-35(21)52/h8,12,21-35,37-42,44-52,54-57H,7,9-11,13-20H2,1-6H3/b12-8+/t21-,22-,23+,24-,25+,26-,27+,28-,29-,30-,31-,32+,33-,34-,35-,37-,38-,39-,40+,41+,42+,43-/m0/s1 |
| InChIKey | XPQXLJRTENHINH-HDMITGENSA-N |
| Mol Weight | 867.1 g/mol |
| Molecular Formula | C43H78O17 |
| Exact Mass | 866.523901 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1j1yjqJyQqO |
|---|---|
| Name | XPQXLJRTENHINH-HDMITGENSA-N |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H78O17 |
| InChI | InChI=1S/C43H78O17/c1-21-13-14-29(47)17-30(48)15-28(46)10-8-12-36(53)58-40-24(4)39(23(3)37(54)22(2)26(6)44)59-41(25(40)5)38(55)33(50)11-7-9-27(45)16-31(49)18-32-19-34(51)42(56)43(57,60-32)20-35(21)52/h8,12,21-35,37-42,44-52,54-57H,7,9-11,13-20H2,1-6H3/b12-8+/t21-,22-,23+,24-,25+,26-,27+,28-,29-,30-,31-,32+,33-,34-,35-,37-,38-,39-,40+,41+,42+,43-/m0/s1 |
| InChIKey | XPQXLJRTENHINH-HDMITGENSA-N |
| Literature Reference Author | K.KOMATSU,M.TSUDA,Y.TANAKA,Y.MIKAMI,J.KOBAYASHI |
| Literature Reference Citation | J.ORG.CHEM.,69,1535(2004) |
| Literature Reference DOI | 10.1021/jo035773v |
| Molecular Weight | 867.082 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN21887 |