| SpectraBase Compound ID | mxnqnXvueu |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-17(2)7-6-12-27(5,30)24-9-8-20-19-16-23(29)22-15-18(28)10-13-25(22,3)21(19)11-14-26(20,24)4/h17,19-22,24,30H,6-16H2,1-5H3 |
| InChIKey | FARUIHAKDGAPJT-UHFFFAOYSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G86r2n3IQxJ |
|---|---|
| Name | Cholestane-3,6-dione, 20-hydroxy-, (5.alpha.,20R)- |
| CAS Registry Number | 56362-85-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-17(2)7-6-12-27(5,30)24-9-8-20-19-16-23(29)22-15-18(28)10-13-25(22,3)21(19)11-14-26(20,24)4/h17,19-22,24,30H,6-16H2,1-5H3 |
| InChIKey | FARUIHAKDGAPJT-UHFFFAOYSA-N |
| Molecular Weight | 416.646 g/mol |
| SMILES | OC(C1C2(C)C(C3C(CC2)C2(C)C(C(C3)=O)CC(CC2)=O)CC1)(CCCC(C)C)C |
| SPLASH | splash10-01q0-8944000000-e28de5dc3ef4d3c04e73 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 20-Hydroxycholestane-3,6-dione 10,13-dimethyl-17-(6-methyl-2-oxidanyl-heptan-2-yl)-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione 17-(1-hydroxy-1,5-dimethyl-hexyl)-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-hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-quinone 17-(2-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione |
| Wiley ID | 1376580 |