| SpectraBase Compound ID | 8ZH7Qw27VDH |
|---|---|
| InChI | InChI=1S/C39H59NO9/c1-8-11-32(43)45-22-31-35(49-33(44)12-9-2)36(46-24(5)42)34(40-23(4)41)37(48-31)47-27-17-19-39(7)26(21-27)13-15-28-29-16-14-25(10-3)38(29,6)20-18-30(28)39/h10,13,25,27-31,34-37H,3,8-9,11-12,14-22H2,1-2,4-7H3,(H,40,41)/t25-,27-,28-,29-,30-,31+,34+,35-,36+,37+,38+,39-/m0/s1 |
| InChIKey | LJBNASZGCDIODB-RZAHZBNRSA-N |
| Mol Weight | 685.9 g/mol |
| Molecular Formula | C39H59NO9 |
| Exact Mass | 685.418982 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9EffoVW9Upz |
|---|---|
| Name | 3-BETA-PREGNA-5,20-DIENYL-2'-ACETAMIDO-2'-DEOXY-3'-O-ACETYL-4',6'-DI-O-N-BUTYRYL-BETA-D-GALACTOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H59NO9 |
| InChI | InChI=1S/C39H59NO9/c1-8-11-32(43)45-22-31-35(49-33(44)12-9-2)36(46-24(5)42)34(40-23(4)41)37(48-31)47-27-17-19-39(7)26(21-27)13-15-28-29-16-14-25(10-3)38(29,6)20-18-30(28)39/h10,13,25,27-31,34-37H,3,8-9,11-12,14-22H2,1-2,4-7H3,(H,40,41)/t25-,27-,28-,29-,30-,31+,34+,35-,36+,37+,38+,39-/m0/s1 |
| InChIKey | LJBNASZGCDIODB-RZAHZBNRSA-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 | 685.899 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK1264 |