![16(S)-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYLOXY]-22(S)-HYDROXYCHOLEST-4-EN-3-ONE](/api/spectrum/HYuvu0AFhFr/structure.png?h=300&w=458 "16(S)-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYLOXY]-22(S)-HYDROXYCHOLEST-4-EN-3-ONE")
| SpectraBase Compound ID | F7lQHfhqOIO |
|---|---|
| InChI | InChI=1S/C39H64O13/c1-18(2)6-9-25(43)19(3)29-26(15-24-22-8-7-20-14-21(42)10-12-38(20,4)23(22)11-13-39(24,29)5)49-37-34(48)35(31(45)28(17-41)51-37)52-36-33(47)32(46)30(44)27(16-40)50-36/h14,18-19,22-37,40-41,43-48H,6-13,15-17H2,1-5H3/t19-,22?,23?,24?,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-,38+,39+/m1/s1 |
| InChIKey | NXVWBZXHTKSVPO-UNLQLCLISA-N |
| Mol Weight | 740.9 g/mol |
| Molecular Formula | C39H64O13 |
| Exact Mass | 740.434692 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HYuvu0AFhFr |
|---|---|
| Name | 16(S)-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYLOXY]-22(S)-HYDROXYCHOLEST-4-EN-3-ONE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H64O13 |
| InChI | InChI=1S/C39H64O13/c1-18(2)6-9-25(43)19(3)29-26(15-24-22-8-7-20-14-21(42)10-12-38(20,4)23(22)11-13-39(24,29)5)49-37-34(48)35(31(45)28(17-41)51-37)52-36-33(47)32(46)30(44)27(16-40)50-36/h14,18-19,22-37,40-41,43-48H,6-13,15-17H2,1-5H3/t19-,22?,23?,24?,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-,38+,39+/m1/s1 |
| InChIKey | NXVWBZXHTKSVPO-UNLQLCLISA-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 | 740.929 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU4134 |