| SpectraBase Compound ID | 48ZWLvA0v98 |
|---|---|
| InChI | InChI=1S/C29H50O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-20,22-27H,7-18H2,1-6H3 |
| InChIKey | PHLIUSDPFOUISN-UHFFFAOYSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C29H50O2 |
| Exact Mass | 430.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AlrVIVup26j |
|---|---|
| Name | Cholestan-3-ol, acetate, (3.beta.,5.alpha.)- |
| CAS Registry Number | 1255-88-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H50O2 |
| InChI | InChI=1S/C29H50O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-20,22-27H,7-18H2,1-6H3 |
| InChIKey | PHLIUSDPFOUISN-UHFFFAOYSA-N |
| Molecular Weight | 430.717 g/mol |
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC1C2CCC2C1(CCC(C2)OC(=O)C)C)C |
| SPLASH | splash10-01b9-7956000000-ad2d3673ab446b8ea1b4 |
| Source of Spectrum | DV-73-573-9 |
| Synonyms | Cholestan-3-yl acetate .beta.-Cholestanol acetate 3.beta.-Acetoxy-5.alpha.-cholestane Cholestan-3-ol, acetate, (3.beta.)- 5.alpha.-Cholestan-3.beta.-ol, acetate 5.alpha.-Cholestan-3.beta.-yl acetate Cholestan-3.alpha.-ol acetate Cholestan-3.beta.-ol acetate Cholestan-3.beta.-yl acetate Cholestanol acetate Acetic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1381808 |