| SpectraBase Compound ID | 2Xg2vw90CBV |
|---|---|
| InChI | InChI=1S/C37H55NO9/c1-8-10-31(42)47-33-30(20-43-22(4)40)46-35(32(38-21(3)39)34(33)44-23(5)41)45-26-15-17-37(7)25(19-26)11-13-27-28-14-12-24(9-2)36(28,6)18-16-29(27)37/h9,11,24,26-30,32-35H,2,8,10,12-20H2,1,3-7H3,(H,38,39)/t24-,26-,27-,28-,29-,30+,32+,33-,34+,35+,36+,37-/m0/s1 |
| InChIKey | BUTYMPIHOBYBQW-PHEUXVQJSA-N |
| Mol Weight | 657.8 g/mol |
| Molecular Formula | C37H55NO9 |
| Exact Mass | 657.387682 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KhlfN8cKq6w |
|---|---|
| Name | 3-BETA-PREGNA-5,20-DIENYL-2'-ACETAMIDO-2'-DEOXY-3',6'-DI-O-ACETYL-4'-O-N-BUTYRYL-BETA-D-GALACTOPYRANOSIDE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H55NO9 |
| InChI | InChI=1S/C37H55NO9/c1-8-10-31(42)47-33-30(20-43-22(4)40)46-35(32(38-21(3)39)34(33)44-23(5)41)45-26-15-17-37(7)25(19-26)11-13-27-28-14-12-24(9-2)36(28,6)18-16-29(27)37/h9,11,24,26-30,32-35H,2,8,10,12-20H2,1,3-7H3,(H,38,39)/t24-,26-,27-,28-,29-,30+,32+,33-,34+,35+,36+,37-/m0/s1 |
| InChIKey | BUTYMPIHOBYBQW-PHEUXVQJSA-N |
| Literature Reference Author | M.M.BANDURRAGA,W.FENICAL |
| Literature Reference Citation | TETRAHEDRON,41,1057(1985) |
| Literature Reference DOI | 10.1016/S0040-4020(01)96473-7 |
| Molecular Weight | 657.845 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK1263 |