| SpectraBase Compound ID | B5MabRosunj |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21-17-29(31-15-16-32-29)18-26(30)28(21,5)25(22)13-14-27(23,24)4/h19-25H,6-18H2,1-5H3 |
| InChIKey | FPRNYHZWRUAUJQ-UHFFFAOYSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 17yzz5PSd1H |
|---|---|
| Name | Cholestane-1,3-dione, cyclic 3-(1,2-ethanediyl acetal), (5.beta.)- |
| CAS Registry Number | 56247-67-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21-17-29(31-15-16-32-29)18-26(30)28(21,5)25(22)13-14-27(23,24)4/h19-25H,6-18H2,1-5H3 |
| InChIKey | FPRNYHZWRUAUJQ-UHFFFAOYSA-N |
| Molecular Weight | 444.700 g/mol |
| SMILES | C12(C)C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CCC2CC2(CC1=O)OCCO2 |
| SPLASH | splash10-000j-9700100000-827bf55f2268f7a06909 |
| Source of Spectrum | AC-64-2295-3 |
| Synonyms | 10',13'-dimethyl-17'-(6-methylheptan-2-yl)-1'-spiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]one 10',13'-dimethyl-17'-(6-methylheptan-2-yl)spiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]-1'-one 17'-(1,5-dimethylhexyl)-10',13'-dimethyl-spiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]-1'-one |
| Wiley ID | 1386157 |