| SpectraBase Compound ID | 3DCJ659emFB |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-18(2)8-6-9-19(3)21-11-12-22-20-13-17-27(29)24(28)10-7-15-26(27,5)23(20)14-16-25(21,22)4/h18-23,29H,6-17H2,1-5H3 |
| InChIKey | KTMRGGHFNOAMRH-UHFFFAOYSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H46O2 |
| Exact Mass | 402.349781 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3MtjPBjgLs |
|---|---|
| Name | Cholestan-4-one, 5-hydroxy-, (5.alpha.)- |
| Alternate Name(s) | 10,13-dimethyl-17-(6-methylheptan-2-yl)-5-oxidanyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-one 17-(1,5-dimethylhexyl)-5-hydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-one 4-Oxo-5.alpha.-cholestan-5-ol 5-Hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-one 5.alpha.-Cholestan-4-one, 5-hydroxy- |
| CAS Registry Number | 19043-66-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O2 |
| InChI | InChI=1S/C27H46O2/c1-18(2)8-6-9-19(3)21-11-12-22-20-13-17-27(29)24(28)10-7-15-26(27,5)23(20)14-16-25(21,22)4/h18-23,29H,6-17H2,1-5H3 |
| InChIKey | KTMRGGHFNOAMRH-UHFFFAOYSA-N |
| Molecular Weight | 402.663 g/mol |
| SMILES | OC12CCC3C4CCC(C(CCCC(C)C)C)C4(CCC3C1(CCCC2=O)C)C |
| SPLASH | splash10-053r-0009000000-6cf9a12366b5fc648dcc |
| Source of Spectrum | KC-1982-927-0 |
| Wiley ID | 1370648 |