| SpectraBase Compound ID | I9J7iTtl5zz |
|---|---|
| InChI | InChI=1S/C41H70O14/c1-19(8-9-25(45)37(4,5)51)27-20(43)15-39(7)24-14-22(53-35-32(50)30(48)29(47)23(16-42)54-35)33-36(2,3)26(55-34-31(49)28(46)21(44)17-52-34)10-11-41(33)18-40(24,41)13-12-38(27,39)6/h19-35,42-51H,8-18H2,1-7H3/t19-,20+,21-,22+,23+,24+,25-,26+,27+,28+,29+,30-,31-,32+,33+,34+,35+,38-,39+,40+,41-/m1/s1 |
| InChIKey | AOIXFGYGQDSQIU-DULJCNTBSA-N |
| Mol Weight | 787.0 g/mol |
| Molecular Formula | C41H70O14 |
| Exact Mass | 786.476557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EzEK3QjAUTq |
|---|---|
| Name | 3-O-BETA-D-XYLOPYRANOSYL-6-O-BETA-D-GLUCOPYRANOSYL-(24S)-3-BETA,6-ALPHA,16-BETA,24,25-PENTAHYDROXY-9,19-CYCLOLANOSTANE;CYCLOCANTHOSIDE-E |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H70O14 |
| InChI | InChI=1S/C41H70O14/c1-19(8-9-25(45)37(4,5)51)27-20(43)15-39(7)24-14-22(53-35-32(50)30(48)29(47)23(16-42)54-35)33-36(2,3)26(55-34-31(49)28(46)21(44)17-52-34)10-11-41(33)18-40(24,41)13-12-38(27,39)6/h19-35,42-51H,8-18H2,1-7H3/t19-,20+,21-,22+,23+,24+,25-,26+,27+,28+,29+,30-,31-,32+,33+,34+,35+,38-,39+,40+,41-/m1/s1 |
| InChIKey | AOIXFGYGQDSQIU-DULJCNTBSA-N |
| Literature Reference Author | M.HIROTANI,Y.ZHOU,H.RUI,T.FURUYA |
| Literature Reference Citation | PHYTOCHEM.,37,1403(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90420-5 |
| Molecular Weight | 786.998 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS23593 |