| SpectraBase Compound ID | 2acJYkC6BmZ |
|---|---|
| InChI | InChI=1S/C30H54O2/c1-21(2)8-7-9-22(3)26-12-13-27-25-11-10-23-20-24(32-19-18-31-6)14-16-29(23,4)28(25)15-17-30(26,27)5/h21-28H,7-20H2,1-6H3 |
| InChIKey | KBRLDQMVHSTRMT-UHFFFAOYSA-N |
| Mol Weight | 446.8 g/mol |
| Molecular Formula | C30H54O2 |
| Exact Mass | 446.412381 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Aa58iMW507V |
|---|---|
| Name | Cholestane, 3-(2-methoxyethoxy)-, (3.beta.,5.alpha.)- |
| CAS Registry Number | 57156-79-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H54O2 |
| InChI | InChI=1S/C30H54O2/c1-21(2)8-7-9-22(3)26-12-13-27-25-11-10-23-20-24(32-19-18-31-6)14-16-29(23,4)28(25)15-17-30(26,27)5/h21-28H,7-20H2,1-6H3 |
| InChIKey | KBRLDQMVHSTRMT-UHFFFAOYSA-N |
| Molecular Weight | 446.760 g/mol |
| SMILES | CC12C(C3C(CC2)C2(C)C(CC3)CC(CC2)OCCOC)CCC1C(CCCC(C)C)C |
| SPLASH | splash10-0ac1-9524000000-1f5d3903909417a6360d |
| Source of Spectrum | JZ-1992-2919-0 |
| Synonyms | 3-(2-Methoxyethoxy)cholestane 17-(1,5-dimethylhexyl)-3-(2-methoxyethoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene 3-(2-Methoxyethoxy)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene 3.beta.-(1'-Methoxyethoxy)-5.alpha.-cholestane |
| Wiley ID | 1386845 |