| SpectraBase Compound ID | JxpZ1lvegxL |
|---|---|
| InChI | InChI=1S/C30H52O2/c1-19(2)9-8-10-20(3)24-13-14-26-23-11-12-25-21(4)28(32-22(5)31)16-18-30(25,7)27(23)15-17-29(24,26)6/h19-21,23-28H,8-18H2,1-7H3 |
| InChIKey | WHFNJZOJPBXDDI-UHFFFAOYSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C30H52O2 |
| Exact Mass | 444.396731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3S6uHoug71D |
|---|---|
| Name | 5.alpha.-Cholestan-3.alpha.-ol, 4.alpha.-methyl-, acetate |
| Alternate Name(s) | 4-Methylcholestan-3-yl acetate acetic acid [4,10,13-trimethyl-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 [4,10,13-trimethyl-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)-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [4,10,13-trimethyl-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 |
| CAS Registry Number | 20997-65-3 |
| Comments | Removed - expert review: contamination (CHCl3); A corrected record has been addded having SpectrumID: 1821400 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H52O2 |
| InChI | InChI=1S/C30H52O2/c1-19(2)9-8-10-20(3)24-13-14-26-23-11-12-25-21(4)28(32-22(5)31)16-18-30(25,7)27(23)15-17-29(24,26)6/h19-21,23-28H,8-18H2,1-7H3 |
| InChIKey | WHFNJZOJPBXDDI-UHFFFAOYSA-N |
| Molecular Weight | 444.744 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CCC2C(C)C(CC1)OC(C)=O |
| SPLASH | splash10-001s-9102000000-9e5ae1cf7a16008f5380 |
| Source of Spectrum | SD-1981-0-0 |
| Wiley ID | 1386220 |