| SpectraBase Compound ID | 4pOAianMTyZ |
|---|---|
| InChI | InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)25-24(28)17-23-21-13-12-20-11-6-7-15-26(20,4)22(21)14-16-27(23,25)5/h18-23,25H,6-17H2,1-5H3 |
| InChIKey | JXOFACSQEIUHLL-UHFFFAOYSA-N |
| Mol Weight | 386.7 g/mol |
| Molecular Formula | C27H46O |
| Exact Mass | 386.354866 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 766pjToIT8C |
|---|---|
| Name | Cholestan-16-one, (5.alpha.)- |
| CAS Registry Number | 56272-02-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O |
| InChI | InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)25-24(28)17-23-21-13-12-20-11-6-7-15-26(20,4)22(21)14-16-27(23,25)5/h18-23,25H,6-17H2,1-5H3 |
| InChIKey | JXOFACSQEIUHLL-UHFFFAOYSA-N |
| Molecular Weight | 386.664 g/mol |
| SMILES | CC12C(C3C(CC2)C2(C)C(CC3)CCCC2)CC(C1C(CCCC(C)C)C)=O |
| SPLASH | splash10-00di-0279000000-d779163e0c61dd29b531 |
| Source of Spectrum | C-86-275-9 |
| Synonyms | Cholestan-16-one 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one 17-(1,5-dimethylhexyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one |
| Wiley ID | 1363168 |