| SpectraBase Compound ID | K01dCDMYxKy |
|---|---|
| InChI | InChI=1S/C27H46O3/c1-16(2)24(29)11-6-17(3)21-9-10-22-20-8-7-18-14-19(28)12-13-26(18,4)23(20)15-25(30)27(21,22)5/h16-23,25,28,30H,6-15H2,1-5H3 |
| InChIKey | XJIIBTIHOARPEE-UHFFFAOYSA-N |
| Mol Weight | 418.7 g/mol |
| Molecular Formula | C27H46O3 |
| Exact Mass | 418.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6oLjfMXoI44 |
|---|---|
| Name | Cholestan-24-one, 3,12-dihydroxy-, (3.alpha.,5.beta.,12.alpha.)- |
| CAS Registry Number | 56052-68-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O3 |
| InChI | InChI=1S/C27H46O3/c1-16(2)24(29)11-6-17(3)21-9-10-22-20-8-7-18-14-19(28)12-13-26(18,4)23(20)15-25(30)27(21,22)5/h16-23,25,28,30H,6-15H2,1-5H3 |
| InChIKey | XJIIBTIHOARPEE-UHFFFAOYSA-N |
| Molecular Weight | 418.662 g/mol |
| SMILES | OC1C2(C(C3C(C4(C(CC(CC4)O)CC3)C)C1)CCC2C(CCC(C(C)C)=O)C)C |
| SPLASH | splash10-0596-9741000000-bcef566866d50f4fd37a |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 3,12-Dihydroxycholestan-24-one 6-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-3-heptanone 6-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-heptan-3-one 6-[10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptan-3-one |
| Wiley ID | 1377443 |