| SpectraBase Compound ID | CmdSWFvbj36 |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h18-19,21-25,27H,7-17H2,1-6H3 |
| InChIKey | GPYWHLREAIMALG-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 | IpNlI4vRo |
|---|---|
| Name | Cholestan-7-one, 3-(acetyloxy)-, (3.beta.,5.alpha.)- |
| Alternate Name(s) | 7-Oxocholestan-3-yl acetate Cholestan-7-one, 3-(acetyloxy)-, (3.beta.)- 3.beta.-Acetoxy-7-cholestanone 5.alpha.-Cholestan-7-one, 3.beta.-hydroxy-, acetate Acetic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester [10,13-dimethyl-17-(6-methylheptan-2-yl)-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate [17-(1,5-dimethylhexyl)-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate [10,13-dimethyl-17-(6-methylheptan-2-yl)-7-oxidanylidene-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate |
| CAS Registry Number | 52993-63-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h18-19,21-25,27H,7-17H2,1-6H3 |
| InChIKey | GPYWHLREAIMALG-UHFFFAOYSA-N |
| Molecular Weight | 444.700 g/mol |
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC1C2C(=O)CC2C1(CCC(C2)OC(=O)C)C)C |
| SPLASH | splash10-0006-9541300000-09094207c2aa960baf92 |
| Source of Spectrum | C-84-1432-3 |
| Wiley ID | 1386160 |