| SpectraBase Compound ID | 6FIDDVVFcuP |
|---|---|
| InChI | InChI=1S/C42H64O19/c1-18-35(61-38-33(51)31(49)29(47)26(60-38)16-56-37-32(50)30(48)28(46)25(14-43)59-37)36(54-3)34(52)39(57-18)58-21-6-10-41(17-44)20(13-21)4-5-24-23(41)7-9-40(2)22(8-11-42(24,40)53)19-12-27(45)55-15-19/h12,17-18,20-26,28-39,43,46-53H,4-11,13-16H2,1-3H3/t18-,20+,21-,22+,23-,24+,25-,26-,28-,29-,30+,31+,32-,33-,34+,35-,36-,37-,38+,39-,40+,41+,42-/m0/s1 |
| InChIKey | WPNLWBRKPZXVGD-CSGSTXOPSA-N |
| Mol Weight | 873.0 g/mol |
| Molecular Formula | C42H64O19 |
| Exact Mass | 872.40418 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3w5rZmTbcls |
|---|---|
| Name | CANNOGENIN-BETA-GENTIOBIOSYL-(1->4)-ALPHA-L-ACOFRIOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H64O19 |
| InChI | InChI=1S/C42H64O19/c1-18-35(61-38-33(51)31(49)29(47)26(60-38)16-56-37-32(50)30(48)28(46)25(14-43)59-37)36(54-3)34(52)39(57-18)58-21-6-10-41(17-44)20(13-21)4-5-24-23(41)7-9-40(2)22(8-11-42(24,40)53)19-12-27(45)55-15-19/h12,17-18,20-26,28-39,43,46-53H,4-11,13-16H2,1-3H3/t18-,20+,21-,22+,23-,24+,25-,26-,28-,29-,30+,31+,32-,33-,34+,35-,36-,37-,38+,39-,40+,41+,42-/m0/s1 |
| InChIKey | WPNLWBRKPZXVGD-CSGSTXOPSA-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 | 872.959 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS23612 |