| SpectraBase Compound ID | 5VHUh204ljT |
|---|---|
| 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/t20-,22?,23?,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | PHLIUSDPFOUISN-CWTBDVDBSA-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 | EEqpq167t01 |
|---|---|
| Name | Cholestan-3-yl acetate |
| CAS Registry Number | 104757-70-2 |
| 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/t20-,22?,23?,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | PHLIUSDPFOUISN-CWTBDVDBSA-N |
| Molecular Weight | 430.717 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CCC(OC(=O)C)C4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-05ur-9774300000-0812cc279a1ac6fa6240 |
| Source of Spectrum | SD-1992-0-0 |
| Synonyms | Acetic acid [(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-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 [(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-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 [(8R,9S,10S,13R,14S,17R)-17-[(1R)-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 [(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-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 | 1381824 |