| SpectraBase Compound ID | 7I3ES6bMRYQ |
|---|---|
| InChI | InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h17-18,20,23-26H,3,7-16H2,1-2,4-6H3 |
| InChIKey | JRMPVNVOLQJLJX-UHFFFAOYSA-N |
| Mol Weight | 396.7 g/mol |
| Molecular Formula | C28H44O |
| Exact Mass | 396.339216 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BsjNBYmoNg3 |
|---|---|
| Name | Ergosta-4,24(28)-dien-3-one |
| Alternate Name(s) | 10,13-dimethyl-17-(6-methyl-5-methyleneheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 10,13-dimethyl-17-(6-methyl-5-methylidene-heptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 17-(1,5-dimethyl-4-methylene-hexyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 17-(4-isopropyl-1-methyl-pent-4-enyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| CAS Registry Number | 55688-44-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H44O |
| InChI | InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h17-18,20,23-26H,3,7-16H2,1-2,4-6H3 |
| InChIKey | JRMPVNVOLQJLJX-UHFFFAOYSA-N |
| Molecular Weight | 396.659 g/mol |
| SMILES | CC12C(C3C(CC2)C2(C)C(CC3)=CC(CC2)=O)CCC1C(CCC(C(C)C)=C)C |
| SPLASH | splash10-03xs-7977000000-345055e1f50ef3a1bbaf |
| Source of Spectrum | F-30-1401-25 |
| Wiley ID | 1367770 |