![Acetic acid, 10-(cyanohydroxymethyl)-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene](/api/spectrum/AsGc5NEu5W3/structure.png?h=300&w=458 "Acetic acid, 10-(cyanohydroxymethyl)-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene")
| SpectraBase Compound ID | FUxeq54icyi |
|---|---|
| InChI | InChI=1S/C22H29NO4/c1-13(24)27-20-6-5-17-16-4-3-14-11-15(25)7-10-22(14,19(26)12-23)18(16)8-9-21(17,20)2/h11,16-20,26H,3-10H2,1-2H3 |
| InChIKey | AUXCYPZTEBCGTI-UHFFFAOYSA-N |
| Mol Weight | 371.48 g/mol |
| Molecular Formula | C22H29NO4 |
| Exact Mass | 371.209658 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AsGc5NEu5W3 |
|---|---|
| Name | Acetic acid, 10-(cyanohydroxymethyl)-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H29NO4 |
| InChI | InChI=1S/C22H29NO4/c1-13(24)27-20-6-5-17-16-4-3-14-11-15(25)7-10-22(14,19(26)12-23)18(16)8-9-21(17,20)2/h11,16-20,26H,3-10H2,1-2H3 |
| InChIKey | AUXCYPZTEBCGTI-UHFFFAOYSA-N |
| Molecular Weight | 371.477 g/mol |
| SMILES | OC(C12CCC(C=C1CCC1C2CCC2(C)C1CCC2OC(=O)C)=O)C#N |
| SPLASH | splash10-052f-8962000000-7eb08e8f6adb3302c98a |
| Synonyms | Acetic acid [10-[cyano(hydroxy)methyl]-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester [10-[cyano(hydroxy)methyl]-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate [10-[cyano(oxidanyl)methyl]-13-methyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate |
| Wiley ID | 1479974 |