| SpectraBase Compound ID | Fs745oEzdgJ |
|---|---|
| InChI | InChI=1S/C39H57NO6/c1-7-44-34-21-31-28-14-15-30-36(42)33(46-26(4)41)18-20-38(30,5)29(28)17-19-39(31,6)35(34)25(3)32-16-13-24(2)22-40(32)37(43)45-23-27-11-9-8-10-12-27/h8-12,24-25,28-35H,7,13-23H2,1-6H3/t24-,25-,28-,29+,30+,31+,32-,33+,34+,35+,38-,39+/m1/s1 |
| InChIKey | DTRQOFIYEAKHLK-QNSDKLFRSA-N |
| Mol Weight | 635.9 g/mol |
| Molecular Formula | C39H57NO6 |
| Exact Mass | 635.418589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | mQlvQ9C1N7 |
|---|---|
| Name | (22S,25R)-3-BETA-ACETOXY-16-BETA-ETHOXY-22,26-N-CBZ-EPIMINO-5-ALPHA-CHOLESTAN-4-ONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H57NO6 |
| InChI | InChI=1S/C39H57NO6/c1-7-44-34-21-31-28-14-15-30-36(42)33(46-26(4)41)18-20-38(30,5)29(28)17-19-39(31,6)35(34)25(3)32-16-13-24(2)22-40(32)37(43)45-23-27-11-9-8-10-12-27/h8-12,24-25,28-35H,7,13-23H2,1-6H3/t24-,25-,28-,29+,30+,31+,32-,33+,34+,35+,38-,39+/m1/s1 |
| InChIKey | DTRQOFIYEAKHLK-QNSDKLFRSA-N |
| Literature Reference Author | E.VILORIA,G.MECCIA,A.N.USUBILLAGA |
| Literature Reference Citation | J.NAT.PROD.,55,1178(1992) |
| Literature Reference DOI | 10.1021/np50087a003 |
| Molecular Weight | 635.885 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS435 |