| SpectraBase Compound ID | CdyoVi9KP1W |
|---|---|
| InChI | InChI=1S/C44H64O20/c1-18-24(21-11-30(48)57-15-21)8-10-44(55)25-6-5-22-12-23(7-9-43(22,17-46)27(25)13-26(18)44)61-42-39(60-20(3)47)38(56-4)37(19(2)59-42)64-41-36(54)34(52)32(50)29(63-41)16-58-40-35(53)33(51)31(49)28(14-45)62-40/h11,17,19,22-29,31-42,45,49-55H,1,5-10,12-16H2,2-4H3/t19-,22+,23-,24-,25+,26+,27-,28-,29-,31-,32-,33+,34+,35-,36-,37-,38+,39-,40-,41+,42-,43+,44-/m0/s1 |
| InChIKey | QFKHNTVKYBODDN-QMRCPPBCSA-N |
| Mol Weight | 913.0 g/mol |
| Molecular Formula | C44H64O20 |
| Exact Mass | 912.399094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 24bR2chc0ct |
|---|---|
| Name | 19-FORMYL-THEVETIOGENIN-BETA-GENTIOBIOSYL-(1->4)-2-O-ACETYL-ALPHA-L-THEVETOSIDE |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H64O20 |
| InChI | InChI=1S/C44H64O20/c1-18-24(21-11-30(48)57-15-21)8-10-44(55)25-6-5-22-12-23(7-9-43(22,17-46)27(25)13-26(18)44)61-42-39(60-20(3)47)38(56-4)37(19(2)59-42)64-41-36(54)34(52)32(50)29(63-41)16-58-40-35(53)33(51)31(49)28(14-45)62-40/h11,17,19,22-29,31-42,45,49-55H,1,5-10,12-16H2,2-4H3/t19-,22+,23-,24-,25+,26+,27-,28-,29-,31-,32-,33+,34+,35-,36-,37-,38+,39-,40-,41+,42-,43+,44-/m0/s1 |
| InChIKey | QFKHNTVKYBODDN-QMRCPPBCSA-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 | 912.980 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS23614 |