| SpectraBase Compound ID | 7U9qH6rkbcQ |
|---|---|
| InChI | InChI=1S/C29H49BrO2/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21-17-29(31-15-16-32-29)26(30)18-28(21,5)25(22)13-14-27(23,24)4/h19-26H,6-18H2,1-5H3 |
| InChIKey | MZQGLXCIKCGLMF-UHFFFAOYSA-N |
| Mol Weight | 509.6 g/mol |
| Molecular Formula | C29H49BrO2 |
| Exact Mass | 508.291594 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BZ9yiCexQss |
|---|---|
| Name | Cholestan-3-one, 2-bromo-, cyclic 1,2-ethanediyl acetal, (2.beta.,5.alpha.)- |
| CAS Registry Number | 56052-89-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H49BrO2 |
| InChI | InChI=1S/C29H49BrO2/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21-17-29(31-15-16-32-29)26(30)18-28(21,5)25(22)13-14-27(23,24)4/h19-26H,6-18H2,1-5H3 |
| InChIKey | MZQGLXCIKCGLMF-UHFFFAOYSA-N |
| Molecular Weight | 509.613 g/mol |
| SMILES | C12(C)C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CCC2CC2(C(C1)Br)OCCO2 |
| SPLASH | splash10-054k-9610000000-ac05ccef68fff1101322 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | Cholestan-3-one, 2-bromo-, cyclic 1,2-ethanediyl acetal, (2.alpha.,5.alpha.)- 2-Bromanyl-10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane] 2-Bromo-10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane] 2-Bromo-17-(1,5-dimethylhexyl)-10,13-dimethyl-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane] |
| Wiley ID | 1400199 |