| SpectraBase Compound ID | KNXJ3Am727K |
|---|---|
| InChI | InChI=1S/C32H54O4/c1-20(9-12-25(34)28(5,6)35)22-13-15-30(8)24-11-10-23-27(3,4)26(36-21(2)33)14-16-31(23)19-32(24,31)18-17-29(22,30)7/h20,22-26,34-35H,9-19H2,1-8H3/t20?,22-,23+,24+,25?,26+,29-,30+,31-,32+/m1/s1 |
| InChIKey | CHYZWIVQCJNRIW-NQSDTZGESA-N |
| Mol Weight | 502.8 g/mol |
| Molecular Formula | C32H54O4 |
| Exact Mass | 502.40221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BqPNN4pVxVX |
|---|---|
| Name | CYCLOARTANE-3-BETA,24,25-TRIOL-3-ACETATE;ISOMER-#1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H54O4 |
| InChI | InChI=1S/C32H54O4/c1-20(9-12-25(34)28(5,6)35)22-13-15-30(8)24-11-10-23-27(3,4)26(36-21(2)33)14-16-31(23)19-32(24,31)18-17-29(22,30)7/h20,22-26,34-35H,9-19H2,1-8H3/t20?,22-,23+,24+,25?,26+,29-,30+,31-,32+/m1/s1 |
| InChIKey | CHYZWIVQCJNRIW-NQSDTZGESA-N |
| Literature Reference Author | J.DEPASCUALTERESA,J.G.URONES,I.S.MARCOS,P.BASABE,M.J.S.CUADR ADO,R.F.MORO |
| Literature Reference Citation | PHYTOCHEM.,26,1767(1987) |
| Literature Reference DOI | 10.1016/S0031-9422(00)82286-4 |
| Molecular Weight | 502.778 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS7875 |