| SpectraBase Compound ID | 7pwAHVgnGwh |
|---|---|
| InChI | InChI=1S/C32H45NO2S/c1-20(9-14-30-33-28-7-5-6-8-29(28)36-30)25-12-13-26-24-11-10-22-19-23(35-21(2)34)15-17-31(22,3)27(24)16-18-32(25,26)4/h5-8,20,22-27H,9-19H2,1-4H3/t20?,22?,23-,24?,25?,26?,27?,31?,32?/m1/s1 |
| InChIKey | MHIZLQIGNVBQQC-AJVFOKMFSA-N |
| Mol Weight | 507.8 g/mol |
| Molecular Formula | C32H45NO2S |
| Exact Mass | 507.317101 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H8b0C4XuRsG |
|---|---|
| Name | 23-(Benzothiazol-2'-yl)-3.alpha.-acetoxynor-cholane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H45NO2S |
| InChI | InChI=1S/C32H45NO2S/c1-20(9-14-30-33-28-7-5-6-8-29(28)36-30)25-12-13-26-24-11-10-22-19-23(35-21(2)34)15-17-31(22,3)27(24)16-18-32(25,26)4/h5-8,20,22-27H,9-19H2,1-4H3/t20?,22?,23-,24?,25?,26?,27?,31?,32?/m1/s1 |
| InChIKey | MHIZLQIGNVBQQC-AJVFOKMFSA-N |
| Molecular Weight | 507.777 g/mol |
| SMILES | C12(C(C3C(C4(C(C[C@](OC(=O)C)(CC4)[H])CC3)C)CC1)CCC2C(CCc1nc2ccccc2s1)C)C |
| SPLASH | splash10-03dk-2900000000-ea8e8c7474db36d0a40a |
| Source of Spectrum | G-60-271-0 |
| Wiley ID | 748924 |