| SpectraBase Compound ID | GMCcOkTntpI |
|---|---|
| InChI | InChI=1S/C37H51NO5/c1-23-11-14-32(38(21-23)35(41)42-22-26-9-7-6-8-10-26)24(2)34-33(43-25(3)39)20-31-29-13-12-27-19-28(40)15-17-36(27,4)30(29)16-18-37(31,34)5/h6-10,19,23-24,29-34H,11-18,20-22H2,1-5H3/t23-,24-,29-,30+,31+,32-,33+,34+,36+,37+/m1/s1 |
| InChIKey | CXNCRJRNMPJLPD-CFSHYNBFSA-N |
| Mol Weight | 589.8 g/mol |
| Molecular Formula | C37H51NO5 |
| Exact Mass | 589.376724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69r9WN4Nqfo |
|---|---|
| Name | (22S,25R)-16-BETA-ACETOXY-22,26-N-CBZ-EPIMINOCHOLEST-4-EN-3-ONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H51NO5 |
| InChI | InChI=1S/C37H51NO5/c1-23-11-14-32(38(21-23)35(41)42-22-26-9-7-6-8-10-26)24(2)34-33(43-25(3)39)20-31-29-13-12-27-19-28(40)15-17-36(27,4)30(29)16-18-37(31,34)5/h6-10,19,23-24,29-34H,11-18,20-22H2,1-5H3/t23-,24-,29-,30+,31+,32-,33+,34+,36+,37+/m1/s1 |
| InChIKey | CXNCRJRNMPJLPD-CFSHYNBFSA-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 | 589.816 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS426 |