| SpectraBase Compound ID | 1gDcjAWJ4Yu |
|---|---|
| InChI | InChI=1S/C30H48OS2/c1-19(2)9-8-10-20(3)24-13-14-25-22-12-11-21-17-27(31)23(28(32-6)33-7)18-30(21,5)26(22)15-16-29(24,25)4/h17,19-20,22,24-26H,8-16,18H2,1-7H3/t20-,22+,24-,25+,26+,29-,30+/m1/s1 |
| InChIKey | BZLQSCRXRCLBOS-KJZXPLFESA-N |
| Mol Weight | 488.8 g/mol |
| Molecular Formula | C30H48OS2 |
| Exact Mass | 488.314659 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9EwUNlkuDDi |
|---|---|
| Name | 2-Bis(methylthio)methylene-4-cholesten-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48OS2 |
| InChI | InChI=1S/C30H48OS2/c1-19(2)9-8-10-20(3)24-13-14-25-22-12-11-21-17-27(31)23(28(32-6)33-7)18-30(21,5)26(22)15-16-29(24,25)4/h17,19-20,22,24-26H,8-16,18H2,1-7H3/t20-,22+,24-,25+,26+,29-,30+/m1/s1 |
| InChIKey | BZLQSCRXRCLBOS-KJZXPLFESA-N |
| Molecular Weight | 488.833 g/mol |
| SMILES | C1(C(C[C@]2(C(=C1)CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)=C(SC)SC)=O |
| SPLASH | splash10-000i-0001900000-12e16f9b71e21c3b7d87 |
| Source of Spectrum | Y1-38-848-4 |
| Synonyms | 2-[bis(methylsulfanyl)methylene]cholest-4-en-3-one |
| Wiley ID | 1527768 |