| SpectraBase Compound ID | KO3kwBCxfdB |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-18(2)19(3)8-9-20(4)25-12-13-26-24-11-10-22-16-23(33-21(5)31)14-15-29(22,6)27(24)17-28(32)30(25,26)7/h18-20,22-27H,8-17H2,1-7H3 |
| InChIKey | OSZVUPFGZRJYAJ-UHFFFAOYSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8hVomRYnd6F |
|---|---|
| Name | Ergostan-12-one, 3-(acetyloxy)-, (3.beta.)- |
| CAS Registry Number | 55823-03-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-18(2)19(3)8-9-20(4)25-12-13-26-24-11-10-22-16-23(33-21(5)31)14-15-29(22,6)27(24)17-28(32)30(25,26)7/h18-20,22-27H,8-17H2,1-7H3 |
| InChIKey | OSZVUPFGZRJYAJ-UHFFFAOYSA-N |
| Molecular Weight | 458.727 g/mol |
| SMILES | CC12C(C3C(CC2=O)C2(C)C(CC3)CC(CC2)OC(C)=O)CCC1C(CCC(C(C)C)C)C |
| SPLASH | splash10-0a5c-9642200000-7271453dd598fb0146cd |
| Source of Spectrum | C-84-1435-11 |
| Synonyms | 12-Oxoergostan-3-yl acetate Acetic acid [17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester [17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate [10,13-dimethyl-12-oxo-17-(1,4,5-trimethylhexyl)-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate [17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-12-oxidanylidene-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1390025 |