| SpectraBase Compound ID | J6CIBVLgkOU |
|---|---|
| InChI | InChI=1S/C22H31NO5/c1-13(24)27-16-8-9-22(3)15(10-16)4-5-18-19(21(26)7-6-20(18)22)11-17(12-23)28-14(2)25/h15-20H,4-11H2,1-3H3 |
| InChIKey | ZZAOLZISNKGESH-UHFFFAOYSA-N |
| Mol Weight | 389.49 g/mol |
| Molecular Formula | C22H31NO5 |
| Exact Mass | 389.220223 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DNYLs7RgtuN |
|---|---|
| Name | 7-Acetoxyperhydrophenanthren-2-one, 4b-methyl-1-(2-acetoxy-2-cyano)ethyl- |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H31NO5 |
| InChI | InChI=1S/C22H31NO5/c1-13(24)27-16-8-9-22(3)15(10-16)4-5-18-19(21(26)7-6-20(18)22)11-17(12-23)28-14(2)25/h15-20H,4-11H2,1-3H3 |
| InChIKey | ZZAOLZISNKGESH-UHFFFAOYSA-N |
| Molecular Weight | 389.492 g/mol |
| SMILES | C1CC(OC(=O)C)CC2C1(C1C(C(C(CC1)=O)CC(C#N)OC(=O)C)CC2)C |
| SPLASH | splash10-00mo-7892000000-9dcf1cd59b7b3ba8f172 |
| Source of Spectrum | CM-1999-11248-0 |
| Synonyms | 2-[7-(Acetyloxy)-4b-methyl-2-oxotetradecahydro-1-phenanthrenyl]-1-cyanoethyl acetate Perhydrophenanthrene-1-propanenitrile, .alpha.,7-diacetoxy-4b-methyl-2-oxo- Acetic acid [8-(2-acetyloxy-2-cyanoethyl)-4a-methyl-7-oxo-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-yl] ester [8-(2-acetyloxy-2-cyanoethyl)-4a-methyl-7-oxo-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-yl] acetate [8-(2-acetoxy-2-cyano-ethyl)-4a-methyl-7-oxo-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-yl] acetate [8-(2-acetyloxy-2-cyano-ethyl)-4a-methyl-7-oxidanylidene-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-yl] ethanoate |
| Wiley ID | 473602 |