SpectraBase Compound ID | CmdSWFvbj36 |
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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 |
SpectraBase Spectrum ID | Bfkd66vuHj2 |
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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 | 6038-71-7 |
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 | splash10-0006-0091800000-8fb467defdadba83cc90 |
Source of Spectrum | K1-0-3702-28 |
Wiley ID | 1589257 |