| SpectraBase Compound ID | FTUzEvMZCJ1 |
|---|---|
| InChI | InChI=1S/C42H62O19/c1-17-22(19-10-28(45)55-14-19)7-9-42(53)23-5-4-20-11-21(6-8-41(20,16-44)25(23)12-24(17)42)58-40-35(52)37(54-3)36(18(2)57-40)61-39-34(51)32(49)30(47)27(60-39)15-56-38-33(50)31(48)29(46)26(13-43)59-38/h10,16,18,20-27,29-40,43,46-53H,1,4-9,11-15H2,2-3H3/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 | LDVQMPPVWWYEOB-TVTWORPYSA-N |
| Mol Weight | 870.9 g/mol |
| Molecular Formula | C42H62O19 |
| Exact Mass | 870.38853 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IMD4c4Lcgo3 |
|---|---|
| Name | 19-FORMYL-THEVETIOGENIN-BETA-GENTIOBIOSYL-(1->4)-ALPHA-L-THEVETOSIDE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H62O19 |
| InChI | InChI=1S/C42H62O19/c1-17-22(19-10-28(45)55-14-19)7-9-42(53)23-5-4-20-11-21(6-8-41(20,16-44)25(23)12-24(17)42)58-40-35(52)37(54-3)36(18(2)57-40)61-39-34(51)32(49)30(47)27(60-39)15-56-38-33(50)31(48)29(46)26(13-43)59-38/h10,16,18,20-27,29-40,43,46-53H,1,4-9,11-15H2,2-3H3/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 | LDVQMPPVWWYEOB-TVTWORPYSA-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 | 870.943 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS23613 |