| SpectraBase Compound ID | LZPqLQr7qwl |
|---|---|
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-18,20-24H,6-16H2,1-5H3/t18-,20?,21-,22?,23?,24-,26-,27-/m1/s1 |
| InChIKey | LNGLEOIUQBVRRY-XRAGMWCSSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C27H44O2 |
| Exact Mass | 400.334131 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GpWR2UuFE6b |
|---|---|
| Name | Cholestane-3,6-dione, (5.alpha.)- |
| Alternate Name(s) | Cholestane-3,6-dione (5alpha)-cholestane-3,6-dione 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-quinone 5.alpha.,17.alpha.,20.alpha.-Cholestane-3,6-dione 5.alpha.-Cholestane-3,6-dione Cholestane-3,6-dione, (5.alpha.,17.alpha.,20S)- Cholestane-3,6-dione, (5alpha)- |
| CAS Registry Number | 2243-09-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O2 |
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-18,20-24H,6-16H2,1-5H3/t18-,20?,21-,22?,23?,24-,26-,27-/m1/s1 |
| InChIKey | LNGLEOIUQBVRRY-XRAGMWCSSA-N |
| Molecular Weight | 400.647 g/mol |
| SMILES | [C@@]12(C3C(C4CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])CC([C@]2(CC(CC1)=O)[H])=O)C |
| SPLASH | splash10-0udi-1040900000-a36215ecbbed05879730 |
| Source of Spectrum | AC-1994-215-2 |
| Wiley ID | 811721 |