| SpectraBase Compound ID | Kc5SLYUzn8K |
|---|---|
| InChI | InChI=1S/C41H57NO8/c1-24-13-16-34(42(22-24)39(46)47-23-29-11-9-8-10-12-29)25(2)37-36(49-27(4)44)21-33-30-14-15-32-38(50-28(5)45)35(48-26(3)43)18-20-40(32,6)31(30)17-19-41(33,37)7/h8-12,15,24-25,30-31,33-38H,13-14,16-23H2,1-7H3/t24-,25-,30-,31+,33+,34-,35+,36+,37+,38-,40-,41+/m1/s1 |
| InChIKey | WPCNUJFDBBZGRF-ADLRDJIISA-N |
| Mol Weight | 691.9 g/mol |
| Molecular Formula | C41H57NO8 |
| Exact Mass | 691.408418 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FVsCUD6oX2t |
|---|---|
| Name | (22S,25R)-22,26-N-CBZ-EPIMINOCHOLEST-5-ENE-3-BETA,4-BETA,16-BETA-TRIOL-ACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H57NO8 |
| InChI | InChI=1S/C41H57NO8/c1-24-13-16-34(42(22-24)39(46)47-23-29-11-9-8-10-12-29)25(2)37-36(49-27(4)44)21-33-30-14-15-32-38(50-28(5)45)35(48-26(3)43)18-20-40(32,6)31(30)17-19-41(33,37)7/h8-12,15,24-25,30-31,33-38H,13-14,16-23H2,1-7H3/t24-,25-,30-,31+,33+,34-,35+,36+,37+,38-,40-,41+/m1/s1 |
| InChIKey | WPCNUJFDBBZGRF-ADLRDJIISA-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 | 691.905 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS420 |