| SpectraBase Compound ID | 4gf2g27p9Ek |
|---|---|
| InChI | InChI=1S/C28H38O3S/c1-19(18-32(30,31)22-7-5-4-6-8-22)24-11-12-25-23-10-9-20-17-21(29)13-15-27(20,2)26(23)14-16-28(24,25)3/h4-10,19,21,24-26,29H,11-18H2,1-3H3/t19-,21?,24?,25?,26?,27?,28?/m1/s1 |
| InChIKey | BBWWKOOFPKQJOU-BEQJVDNUSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C28H38O3S |
| Exact Mass | 454.254166 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HT5zFKUfVWu |
|---|---|
| Name | 3.beta.-Hydroxy-22-phenylsulfonyl-23,24-bisnorchola-5,7-diene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H38O3S |
| InChI | InChI=1S/C28H38O3S/c1-19(18-32(30,31)22-7-5-4-6-8-22)24-11-12-25-23-10-9-20-17-21(29)13-15-27(20,2)26(23)14-16-28(24,25)3/h4-10,19,21,24-26,29H,11-18H2,1-3H3/t19-,21?,24?,25?,26?,27?,28?/m1/s1 |
| InChIKey | BBWWKOOFPKQJOU-BEQJVDNUSA-N |
| Molecular Weight | 454.669 g/mol |
| SMILES | OC1CCC2(C3CCC4(C([C@@](CS(=O)(=O)c5ccccc5)(C)[H])CCC4C3=CC=C2C1)C)C |
| SPLASH | splash10-0fkd-0402900000-1c58ad9462dce8e84860 |
| Source of Spectrum | SO-0-194-5 |
| Wiley ID | 1541222 |