| SpectraBase Compound ID | 45c19nvmmO |
|---|---|
| InChI | InChI=1S/C31H54O2/c1-21(2)9-8-10-22(3)24-12-13-25-23-11-14-27-28(4,5)31(32-19-20-33-31)18-17-30(27,7)26(23)15-16-29(24,25)6/h21-27H,8-20H2,1-7H3 |
| InChIKey | LIWBVHCDXUDJGN-UHFFFAOYSA-N |
| Mol Weight | 458.8 g/mol |
| Molecular Formula | C31H54O2 |
| Exact Mass | 458.412381 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LLJCFApVyNG |
|---|---|
| Name | Cholestan-3-one, 4,4-dimethyl-, cyclic 1,2-ethanediyl acetal, (5.alpha.)- |
| Alternate Name(s) | 17'-(1,5-dimethylhexyl)-4',4',10',13'-tetramethyl-spiro[1,3-dioxolane-2,3'-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene] 4',4',10',13'-tetramethyl-17'-(6-methylheptan-2-yl)spiro[1,3-dioxolane-2,3'-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene] |
| CAS Registry Number | 54498-64-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H54O2 |
| InChI | InChI=1S/C31H54O2/c1-21(2)9-8-10-22(3)24-12-13-25-23-11-14-27-28(4,5)31(32-19-20-33-31)18-17-30(27,7)26(23)15-16-29(24,25)6/h21-27H,8-20H2,1-7H3 |
| InChIKey | LIWBVHCDXUDJGN-UHFFFAOYSA-N |
| Molecular Weight | 458.771 g/mol |
| SMILES | C12(C)C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CCC2C(C)(C)C2(CC1)OCCO2 |
| SPLASH | splash10-0002-9200000000-9635ee4c9cf9f45563e7 |
| Source of Spectrum | SD-1981-0-0 |
| Wiley ID | 1390102 |