| SpectraBase Compound ID | 8XiNONRF6Fb |
|---|---|
| InChI | InChI=1S/C49H78O18/c1-44(2)16-18-49(43(59)61-9)19-17-47(6)23(24(49)20-44)10-11-28-46(5)14-13-29(45(3,4)27(46)12-15-48(28,47)7)64-42-38(67-40-33(55)30(52)25(51)22-62-40)36(35(57)37(66-42)39(58)60-8)65-41-34(56)32(54)31(53)26(21-50)63-41/h10,24-38,40-42,50-57H,11-22H2,1-9H3/t24-,25+,26+,27-,28+,29-,30-,31+,32-,33+,34+,35-,36-,37-,38+,40-,41-,42+,46?,47?,48?,49-/m0/s1 |
| InChIKey | UTQIMWILFSEMGD-CAORAGCFSA-N |
| Mol Weight | 955.1 g/mol |
| Molecular Formula | C49H78O18 |
| Exact Mass | 954.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ky6stNL6QIG |
|---|---|
| Name | TARASAPONIN-II-DIMETHYLESTER |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H78O18 |
| InChI | InChI=1S/C49H78O18/c1-44(2)16-18-49(43(59)61-9)19-17-47(6)23(24(49)20-44)10-11-28-46(5)14-13-29(45(3,4)27(46)12-15-48(28,47)7)64-42-38(67-40-33(55)30(52)25(51)22-62-40)36(35(57)37(66-42)39(58)60-8)65-41-34(56)32(54)31(53)26(21-50)63-41/h10,24-38,40-42,50-57H,11-22H2,1-9H3/t24-,25+,26+,27-,28+,29-,30-,31+,32-,33+,34+,35-,36-,37-,38+,40-,41-,42+,46?,47?,48?,49-/m0/s1 |
| InChIKey | UTQIMWILFSEMGD-CAORAGCFSA-N |
| Literature Reference Author | S.SAKAI,M.KATSUMATA,Y.SATOH,M.NAGASAO,M.MIYAKOSHI,Y.IDA,J.SH OJI |
| Literature Reference Citation | PHYTOCHEM.,35,1319(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)94846-5 |
| Molecular Weight | 955.148 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS24553 |