| SpectraBase Compound ID | 3k0fC4TprRf |
|---|---|
| InChI | InChI=1S/C29H44O5/c1-17(16-30)6-9-25(32)18(2)27-26(33)15-24-22-8-7-20-14-21(34-19(3)31)10-12-28(20,4)23(22)11-13-29(24,27)5/h7,17-18,21-24,27,30H,6,8-16H2,1-5H3 |
| InChIKey | SOUPZQQZNVONPL-UHFFFAOYSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C29H44O5 |
| Exact Mass | 472.318875 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Jia8R9M8mf1 |
|---|---|
| Name | Cholest-5-ene-16,22-dione, 3.beta.,26-dihydroxy-, 3-acetate, (20S,25R)- |
| CAS Registry Number | 29853-25-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H44O5 |
| InChI | InChI=1S/C29H44O5/c1-17(16-30)6-9-25(32)18(2)27-26(33)15-24-22-8-7-20-14-21(34-19(3)31)10-12-28(20,4)23(22)11-13-29(24,27)5/h7,17-18,21-24,27,30H,6,8-16H2,1-5H3 |
| InChIKey | SOUPZQQZNVONPL-UHFFFAOYSA-N |
| Molecular Weight | 472.666 g/mol |
| SMILES | OCC(CCC(C(C1C2(C)C(C3C(CC2)C2(C)C(=CC3)CC(CC2)OC(C)=O)CC1=O)C)=O)C |
| SPLASH | splash10-05mo-8932000000-410da909f17045c2da3b |
| Source of Spectrum | DV-73-580-20 |
| Synonyms | 26-Hydroxy-16,22-dioxocholest-5-en-3-yl acetate Acetic acid [17-(7-hydroxy-6-methyl-3-oxoheptan-2-yl)-10,13-dimethyl-16-oxo-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester [17-(7-hydroxy-6-methyl-3-oxoheptan-2-yl)-10,13-dimethyl-16-oxo-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate [17-(6-hydroxy-1,5-dimethyl-2-oxo-hexyl)-10,13-dimethyl-16-oxo-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate [10,13-dimethyl-17-(6-methyl-7-oxidanyl-3-oxidanylidene-heptan-2-yl)-16-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1393453 |