| SpectraBase Compound ID | 55sUkZjNnbq |
|---|---|
| InChI | InChI=1S/C31H50O5/c1-18(2)28(34)13-8-19(3)25-11-12-26-24-10-9-22-16-23(35-20(4)32)14-15-30(22,6)27(24)17-29(31(25,26)7)36-21(5)33/h18-19,22-27,29H,8-17H2,1-7H3 |
| InChIKey | RLJGGSHMXSZGJS-UHFFFAOYSA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C31H50O5 |
| Exact Mass | 502.365825 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 96B5JCDNJGo |
|---|---|
| Name | Cholestan-24-one, 3,12-bis(acetyloxy)-, (3.alpha.,5.beta.,12.alpha.)- |
| CAS Registry Number | 56052-67-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O5 |
| InChI | InChI=1S/C31H50O5/c1-18(2)28(34)13-8-19(3)25-11-12-26-24-10-9-22-16-23(35-20(4)32)14-15-30(22,6)27(24)17-29(31(25,26)7)36-21(5)33/h18-19,22-27,29H,8-17H2,1-7H3 |
| InChIKey | RLJGGSHMXSZGJS-UHFFFAOYSA-N |
| Molecular Weight | 502.736 g/mol |
| SMILES | CC12C(C3C(CC2OC(C)=O)C2(C)C(CC3)CC(CC2)OC(C)=O)CCC1C(CCC(C(C)C)=O)C |
| SPLASH | splash10-0535-6943000000-6f71a6d0690780c2fa2e |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 12-(Acetyloxy)-24-oxocholestan-3-yl acetate Acetic acid [12-acetyloxy-10,13-dimethyl-17-(6-methyl-5-oxoheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [12-acetyloxy-10,13-dimethyl-17-(6-methyl-5-oxoheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [12-acetoxy-17-(1,5-dimethyl-4-oxo-hexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [12-acetyloxy-10,13-dimethyl-17-(6-methyl-5-oxidanylidene-heptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1399291 |