| SpectraBase Compound ID | 9mmboeUOgl9 |
|---|---|
| InChI | InChI=1S/C29H49ClO3/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(33-20(4)31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-26,32H,7-17H2,1-6H3 |
| InChIKey | RMWFVMQCVWLIJD-UHFFFAOYSA-N |
| Mol Weight | 481.2 g/mol |
| Molecular Formula | C29H49ClO3 |
| Exact Mass | 480.337023 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4ppuIohkhde |
|---|---|
| Name | 3-Chloro-5-hydroxycholestan-6-yl acetate |
| Alternate Name(s) | Acetic acid [3-chloro-5-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl] ester [3-chloro-5-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl] acetate [3-chloro-17-(1,5-dimethylhexyl)-5-hydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl] acetate [3-chloranyl-10,13-dimethyl-17-(6-methylheptan-2-yl)-5-oxidanyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl] ethanoate |
| CAS Registry Number | 14150-17-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H49ClO3 |
| InChI | InChI=1S/C29H49ClO3/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(33-20(4)31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-26,32H,7-17H2,1-6H3 |
| InChIKey | RMWFVMQCVWLIJD-UHFFFAOYSA-N |
| Molecular Weight | 481.161 g/mol |
| SMILES | OC12CC(CCC2(C2CCC3(C(C2CC1OC(C)=O)CCC3C(C)CCCC(C)C)C)C)Cl |
| SPLASH | splash10-052f-7952100000-1c8a2697358ec5954087 |
| Source of Spectrum | NP-15-5774-0 |
| Wiley ID | 1112658 |