| SpectraBase Compound ID | JxOuGgsJGz |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-6-7-8-9-10-19(2)24-13-14-25-23-12-11-21-17-22(32-20(3)30)15-16-28(21,4)26(23)18-27(31)29(24,25)5/h19,21-26H,6-18H2,1-5H3 |
| InChIKey | XDYTZOSWPNEULQ-UHFFFAOYSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | vFP6XCCyn5 |
|---|---|
| Name | Pregnan-12-one, 3-(acetyloxy)-20-hexyl-, (3.alpha.)- |
| CAS Registry Number | 57984-01-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-6-7-8-9-10-19(2)24-13-14-25-23-12-11-21-17-22(32-20(3)30)15-16-28(21,4)26(23)18-27(31)29(24,25)5/h19,21-26H,6-18H2,1-5H3 |
| InChIKey | XDYTZOSWPNEULQ-UHFFFAOYSA-N |
| Molecular Weight | 444.700 g/mol |
| SMILES | CC12C(C3C(CC2=O)C2(C)C(CC3)CC(CC2)OC(C)=O)CCC1C(CCCCCC)C |
| SPLASH | splash10-0006-9621300000-2522effea6627b6aa62a |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | (10,13-dimethyl-17-octan-2-yl-12-oxidanylidene-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl) ethanoate (10,13-dimethyl-17-octan-2-yl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl) acetate Acetic acid (10,13-dimethyl-17-octan-2-yl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl) ester [10,13-dimethyl-17-(1-methylheptyl)-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate |
| Wiley ID | 60368 |