| SpectraBase Compound ID | K5WGmwIHOxG |
|---|---|
| InChI | InChI=1S/C27H48O3/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/h17-24,28-30H,6-16H2,1-5H3 |
| InChIKey | ZOMKSZCIFXYBAD-UHFFFAOYSA-N |
| Mol Weight | 420.7 g/mol |
| Molecular Formula | C27H48O3 |
| Exact Mass | 420.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8Tiae8bfAJG |
|---|---|
| Name | Cholestane-3,6,20-triol, (3.beta.,5.alpha.,6.alpha.,20R)- |
| CAS Registry Number | 56362-86-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H48O3 |
| InChI | InChI=1S/C27H48O3/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/h17-24,28-30H,6-16H2,1-5H3 |
| InChIKey | ZOMKSZCIFXYBAD-UHFFFAOYSA-N |
| Molecular Weight | 420.678 g/mol |
| SMILES | OC1CC2C(C3(C1CC(CC3)O)C)CCC1(C2CCC1C(CCCC(C)C)(C)O)C |
| SPLASH | splash10-05mw-9642000000-a8e6eddf9c71419fd597 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | Cholestane-3,6,20-triol 10,13-dimethyl-17-(6-methyl-2-oxidanyl-heptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol 17-(1-hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol 17-(2-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol |
| Wiley ID | 1378152 |