| SpectraBase Compound ID | IoQIDFSjaM4 |
|---|---|
| InChI | InChI=1S/C37H53NO6/c1-22-11-14-30(38(20-22)35(42)43-21-25-9-7-6-8-10-25)23(2)33-32(44-24(3)39)19-29-26-12-13-28-34(41)31(40)16-18-36(28,4)27(26)15-17-37(29,33)5/h6-10,13,22-23,26-27,29-34,40-41H,11-12,14-21H2,1-5H3/t22-,23-,26-,27+,29+,30-,31+,32+,33+,34-,36-,37+/m1/s1 |
| InChIKey | YKVLRDONSZNKCK-IJXAVTCESA-N |
| Mol Weight | 607.8 g/mol |
| Molecular Formula | C37H53NO6 |
| Exact Mass | 607.387288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 65C1D4ZBCWG |
|---|---|
| Name | (22S,25R)-16-BETA-ACETOXY-22,26-N-CBZ-EPIMINOCHOLEST-5-ENE-3-BETA,4-BETA-DIOL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H53NO6 |
| InChI | InChI=1S/C37H53NO6/c1-22-11-14-30(38(20-22)35(42)43-21-25-9-7-6-8-10-25)23(2)33-32(44-24(3)39)19-29-26-12-13-28-34(41)31(40)16-18-36(28,4)27(26)15-17-37(29,33)5/h6-10,13,22-23,26-27,29-34,40-41H,11-12,14-21H2,1-5H3/t22-,23-,26-,27+,29+,30-,31+,32+,33+,34-,36-,37+/m1/s1 |
| InChIKey | YKVLRDONSZNKCK-IJXAVTCESA-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 | 607.831 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS423 |