| SpectraBase Compound ID | 7KpZp6NVxHx |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-18(2)19(3)8-9-20(4)25-12-13-26-24-11-10-22-16-23(32)14-15-29(22,6)27(24)17-28(30(25,26)7)33-21(5)31/h16,18-20,24-28H,8-15,17H2,1-7H3 |
| InChIKey | OPCFPJOCGKQQPS-UHFFFAOYSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Jouitlhz1EC |
|---|---|
| Name | Ergost-4-en-3-one, 12-(acetyloxy)-, (12.alpha.)- |
| Alternate Name(s) | 3-Oxoergost-4-en-12-yl acetate Acetic acid [17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] ester [17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] acetate [10,13-dimethyl-3-oxo-17-(1,4,5-trimethylhexyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] acetate [17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] ethanoate |
| CAS Registry Number | 56052-08-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-18(2)19(3)8-9-20(4)25-12-13-26-24-11-10-22-16-23(32)14-15-29(22,6)27(24)17-28(30(25,26)7)33-21(5)31/h16,18-20,24-28H,8-15,17H2,1-7H3 |
| InChIKey | OPCFPJOCGKQQPS-UHFFFAOYSA-N |
| Molecular Weight | 456.711 g/mol |
| SMILES | CC12C(C3C(CC2OC(C)=O)C2(C)C(CC3)=CC(CC2)=O)CCC1C(CCC(C(C)C)C)C |
| SPLASH | splash10-05mn-9744000000-b380c2cecb051a70ab2e |
| Source of Spectrum | SD-1981-0-0 |
| Wiley ID | 61080 |