| SpectraBase Compound ID | 12VRqHa6rBm |
|---|---|
| InChI | InChI=1S/C35H51NO9/c1-8-23-10-12-27-26-11-9-24-17-25(13-15-35(24,7)28(26)14-16-34(23,27)6)44-33-30(36-19(2)37)32(43-22(5)40)31(42-21(4)39)29(45-33)18-41-20(3)38/h8-9,23,25-33H,1,10-18H2,2-7H3,(H,36,37)/t23-,25-,26-,27-,28-,29+,30+,31-,32+,33+,34+,35-/m0/s1 |
| InChIKey | SMZQPRINAIITQH-AIEIHYHASA-N |
| Mol Weight | 629.8 g/mol |
| Molecular Formula | C35H51NO9 |
| Exact Mass | 629.356382 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HYrg9utQxpd |
|---|---|
| Name | 3-BETA-PREGNA-5,20-DIENYL-2'-ACETAMIDO-2'-DEOXY-3',4',6'-TRI-O-ACETYL-BETA-D-GALACTOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H51NO9 |
| InChI | InChI=1S/C35H51NO9/c1-8-23-10-12-27-26-11-9-24-17-25(13-15-35(24,7)28(26)14-16-34(23,27)6)44-33-30(36-19(2)37)32(43-22(5)40)31(42-21(4)39)29(45-33)18-41-20(3)38/h8-9,23,25-33H,1,10-18H2,2-7H3,(H,36,37)/t23-,25-,26-,27-,28-,29+,30+,31-,32+,33+,34+,35-/m0/s1 |
| InChIKey | SMZQPRINAIITQH-AIEIHYHASA-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 | 629.791 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK1261 |