| SpectraBase Compound ID | 9XWQuIbp3PP |
|---|---|
| InChI | InChI=1S/C31H53ClO2/c1-8-23(20(2)3)10-9-21(4)26-11-12-27-25-14-18-31(32)19-24(34-22(5)33)13-17-30(31,7)28(25)15-16-29(26,27)6/h20-21,23-28H,8-19H2,1-7H3 |
| InChIKey | ADHRCGLHYQPIGP-UHFFFAOYSA-N |
| Mol Weight | 493.2 g/mol |
| Molecular Formula | C31H53ClO2 |
| Exact Mass | 492.373409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1vMZcXF1vEM |
|---|---|
| Name | Stigmastan-3-ol, 5-chloro-, acetate, (3.beta.,5.alpha.)- |
| CAS Registry Number | 55724-19-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H53ClO2 |
| InChI | InChI=1S/C31H53ClO2/c1-8-23(20(2)3)10-9-21(4)26-11-12-27-25-14-18-31(32)19-24(34-22(5)33)13-17-30(31,7)28(25)15-16-29(26,27)6/h20-21,23-28H,8-19H2,1-7H3 |
| InChIKey | ADHRCGLHYQPIGP-UHFFFAOYSA-N |
| Molecular Weight | 493.216 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(C(CCC(C(C)C)CC)C)CC4)CCC2(Cl)CC(CC1)OC(C)=O |
| SPLASH | splash10-052b-6931000000-65ecff04a035aca2c2a2 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 5-Chlorostigmastan-3-yl acetate Acetic acid [5-chloro-17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester [5-chloro-17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate [5-chloro-17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate [5-chloranyl-17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1397649 |