| SpectraBase Compound ID | CReUhgrDnTT |
|---|---|
| InChI | InChI=1S/C29H49IO2/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 | VUYVBINDYFPGBI-UHFFFAOYSA-N |
| Mol Weight | 556.6 g/mol |
| Molecular Formula | C29H49IO2 |
| Exact Mass | 556.277726 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3pdjECGFHZA |
|---|---|
| Name | Cholestan-3-one, 2-iodo-, cyclic 1,2-ethanediyl acetal, (2.alpha.,5.alpha.)- |
| CAS Registry Number | 56052-90-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H49IO2 |
| InChI | InChI=1S/C29H49IO2/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 | VUYVBINDYFPGBI-UHFFFAOYSA-N |
| Molecular Weight | 556.613 g/mol |
| SMILES | C12(C)C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CCC2CC2(C(C1)I)OCCO2 |
| SPLASH | splash10-004j-9811100000-63b573b1a189e263c2e4 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 17-(1,5-dimethylhexyl)-2-iodo-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] 2-iodanyl-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-iodo-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] |
| Wiley ID | 64528 |