| SpectraBase Compound ID | BjQ7No4tpQn |
|---|---|
| InChI | InChI=1S/C31H51ClO2/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/h9-10,20-21,23-28H,8,11-19H2,1-7H3/b10-9+ |
| InChIKey | RXKYIIACANRIHP-MDZDMXLPSA-N |
| Mol Weight | 491.2 g/mol |
| Molecular Formula | C31H51ClO2 |
| Exact Mass | 490.357759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B47xXsemDJo |
|---|---|
| Name | Stigmast-22-en-3-ol, 5-chloro-, acetate, (3.beta.,5.alpha.,22E)- |
| CAS Registry Number | 55724-18-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H51ClO2 |
| InChI | InChI=1S/C31H51ClO2/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/h9-10,20-21,23-28H,8,11-19H2,1-7H3/b10-9+ |
| InChIKey | RXKYIIACANRIHP-MDZDMXLPSA-N |
| Molecular Weight | 491.200 g/mol |
| SMILES | CCC(\C=C\C(C)C1CCC2C3CCC4(Cl)CC(CCC4(C)C3CCC12C)OC(C)=O)C(C)C |
| SPLASH | splash10-0006-9312100000-4cf96fc62c0cf0a8333e |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | (22E)-5-Chlorostigmast-22-en-3-yl acetate Acetic acid [5-chloro-17-[(E)-5-ethyl-6-methylhept-3-en-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-[(E)-5-ethyl-6-methylhept-3-en-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-[(E)-4-ethyl-1,5-dimethyl-hex-2-enyl]-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-[(E)-5-ethyl-6-methyl-hept-3-en-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 | 1397337 |