| SpectraBase Compound ID | KxBNSCCImkT |
|---|---|
| InChI | InChI=1S/C31H54O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h20-21,23-29H,8-19H2,1-7H3 |
| InChIKey | UOLJGJFAVGOXAH-UHFFFAOYSA-N |
| Mol Weight | 458.8 g/mol |
| Molecular Formula | C31H54O2 |
| Exact Mass | 458.412381 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DYbw7Vi8Tcn |
|---|---|
| Name | Clerostanol acetate |
| Alternate Name(s) | stigmastan-3-yl acetate Stigmastanol acetate Acetic acid [17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [17-(5-ethyl-6-methylheptan-2-yl)-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 [17-(4-ethyl-1,5-dimethyl-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 [17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| CAS Registry Number | 2364-21-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H54O2 |
| InChI | InChI=1S/C31H54O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h20-21,23-29H,8-19H2,1-7H3 |
| InChIKey | UOLJGJFAVGOXAH-UHFFFAOYSA-N |
| Molecular Weight | 458.771 g/mol |
| SMILES | C12(C(C3CCC4C(C3CC2)(CCC(OC(=O)C)C4)C)CCC1C(CCC(C(C)C)CC)C)C |
| SPLASH | splash10-014i-0092100000-cce70d839142d5cbb90a |
| Source of Spectrum | Va-0-0-0 |
| Wiley ID | 741280 |