| SpectraBase Compound ID | sDJIZdQvks |
|---|---|
| InChI | InChI=1S/C31H50O2S2/c1-20(2)7-6-8-21(3)26-11-12-27-25-10-9-23-19-24(33-22(4)32)13-16-31(23,29-34-17-18-35-29)28(25)14-15-30(26,27)5/h9,20-21,24-29H,6-8,10-19H2,1-5H3 |
| InChIKey | MDYNVJDNNHAUOY-UHFFFAOYSA-N |
| Mol Weight | 518.9 g/mol |
| Molecular Formula | C31H50O2S2 |
| Exact Mass | 518.325223 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1Y2ftJ8GKfc |
|---|---|
| Name | Cholest-5-en-19-al, 3.beta.-hydroxy-, cyclic ethylene mercaptal, acetate |
| CAS Registry Number | 1109-44-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O2S2 |
| InChI | InChI=1S/C31H50O2S2/c1-20(2)7-6-8-21(3)26-11-12-27-25-10-9-23-19-24(33-22(4)32)13-16-31(23,29-34-17-18-35-29)28(25)14-15-30(26,27)5/h9,20-21,24-29H,6-8,10-19H2,1-5H3 |
| InChIKey | MDYNVJDNNHAUOY-UHFFFAOYSA-N |
| Molecular Weight | 518.859 g/mol |
| SMILES | C(OC1CC=2C(CC1)(C1C(CC2)C2C(CC1)(C)C(C(CCCC(C)C)C)CC2)C1SCCS1)(C)=O |
| SPLASH | splash10-0udi-0019100000-7bcd6fddba4e4a3f8ea4 |
| Source of Spectrum | T-68-5684-0 |
| Synonyms | 17-(1,5-Dimethylhexyl)-10-(1,3-dithiolan-2-yl)estr-5-en-3-yl acetate Acetic acid [10-(1,3-dithiolan-2-yl)-13-methyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [10-(1,3-dithiolan-2-yl)-13-methyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-(1,5-dimethylhexyl)-10-(1,3-dithiolan-2-yl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [10-(1,3-dithiolan-2-yl)-13-methyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1401750 |