| SpectraBase Compound ID | 1gHltK2yCIm |
|---|---|
| InChI | InChI=1S/C42H64O18/c1-17-22(19-11-28(44)54-15-19)8-10-42(52)23-6-5-20-12-21(7-9-41(20,3)25(23)13-24(17)42)57-40-35(51)37(53-4)36(18(2)56-40)60-39-34(50)32(48)30(46)27(59-39)16-55-38-33(49)31(47)29(45)26(14-43)58-38/h11,18,20-27,29-40,43,45-52H,1,5-10,12-16H2,2-4H3/t18-,20-,21-,22-,23+,24-,25-,26-,27-,29-,30-,31+,32+,33-,34-,35+,36-,37-,38-,39+,40-,41-,42-/m0/s1 |
| InChIKey | HBAVPWHKFSXASX-IIXKPMNDSA-N |
| Mol Weight | 857.0 g/mol |
| Molecular Formula | C42H64O18 |
| Exact Mass | 856.409265 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BAg8nJNWki2 |
|---|---|
| Name | 5-ALPHA-THEVETIOGENIN-BETA-GENTIOBIOSYL-(1->4)-ALPHA-L-ACOFRIOSIDE |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H64O18 |
| InChI | InChI=1S/C42H64O18/c1-17-22(19-11-28(44)54-15-19)8-10-42(52)23-6-5-20-12-21(7-9-41(20,3)25(23)13-24(17)42)57-40-35(51)37(53-4)36(18(2)56-40)60-39-34(50)32(48)30(46)27(59-39)16-55-38-33(49)31(47)29(45)26(14-43)58-38/h11,18,20-27,29-40,43,45-52H,1,5-10,12-16H2,2-4H3/t18-,20-,21-,22-,23+,24-,25-,26-,27-,29-,30-,31+,32+,33-,34-,35+,36-,37-,38-,39+,40-,41-,42-/m0/s1 |
| InChIKey | HBAVPWHKFSXASX-IIXKPMNDSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI,S.YAHARA,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,37,1429(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90426-6 |
| Molecular Weight | 856.959 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS23615 |