![(25S)-16-(S)-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYLOXY]-26-HYDROXYCHOLEST-4-EN-3,22-DIONE](/api/spectrum/LflTvJTX57g/structure.png?h=300&w=458 "(25S)-16-(S)-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYLOXY]-26-HYDROXYCHOLEST-4-EN-3,22-DIONE")
| SpectraBase Compound ID | Bgq8wQXwos6 |
|---|---|
| InChI | InChI=1S/C39H62O14/c1-18(15-40)5-8-25(44)19(2)29-26(14-24-22-7-6-20-13-21(43)9-11-38(20,3)23(22)10-12-39(24,29)4)50-37-34(49)35(31(46)28(17-42)52-37)53-36-33(48)32(47)30(45)27(16-41)51-36/h13,18-19,22-24,26-37,40-42,45-49H,5-12,14-17H2,1-4H3/t18-,19-,22?,23?,24?,26+,27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-,38+,39+/m1/s1 |
| InChIKey | KACXZLOYLVJNFR-FBDRVGQFSA-N |
| Mol Weight | 754.9 g/mol |
| Molecular Formula | C39H62O14 |
| Exact Mass | 754.413957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LflTvJTX57g |
|---|---|
| Name | (25S)-16-(S)-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYLOXY]-26-HYDROXYCHOLEST-4-EN-3,22-DIONE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H62O14 |
| InChI | InChI=1S/C39H62O14/c1-18(15-40)5-8-25(44)19(2)29-26(14-24-22-7-6-20-13-21(43)9-11-38(20,3)23(22)10-12-39(24,29)4)50-37-34(49)35(31(46)28(17-42)52-37)53-36-33(48)32(47)30(45)27(16-41)51-36/h13,18-19,22-24,26-37,40-42,45-49H,5-12,14-17H2,1-4H3/t18-,19-,22?,23?,24?,26+,27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-,38+,39+/m1/s1 |
| InChIKey | KACXZLOYLVJNFR-FBDRVGQFSA-N |
| Literature Reference Author | H.ACHENBACH,H.HUEBNER,M.REITER |
| Literature Reference Citation | PHYTOCHEM.,41,907(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00622-2 |
| Molecular Weight | 754.913 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU4135 |