| SpectraBase Compound ID | GG6BTZ7VlKm |
|---|---|
| InChI | InChI=1S/C34H47NO4S/c1-21(8-13-30-35-28-6-4-5-7-29(28)40-30)25-11-12-26-24-10-9-22-20-23(39-32(38)15-14-31(36)37)16-18-33(22,2)27(24)17-19-34(25,26)3/h4-7,21-27H,8-20H2,1-3H3,(H,36,37)/t21?,22?,23-,24?,25?,26?,27?,33?,34?/m1/s1 |
| InChIKey | GCCACJODEJGKFJ-AFJVXHOGSA-N |
| Mol Weight | 565.8 g/mol |
| Molecular Formula | C34H47NO4S |
| Exact Mass | 565.32258 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HwmXh9bXWdC |
|---|---|
| Name | 23-(Benzothiazol-2'-yl)-3.alpha.-(suucinyloxy)nor-cholane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H47NO4S |
| InChI | InChI=1S/C34H47NO4S/c1-21(8-13-30-35-28-6-4-5-7-29(28)40-30)25-11-12-26-24-10-9-22-20-23(39-32(38)15-14-31(36)37)16-18-33(22,2)27(24)17-19-34(25,26)3/h4-7,21-27H,8-20H2,1-3H3,(H,36,37)/t21?,22?,23-,24?,25?,26?,27?,33?,34?/m1/s1 |
| InChIKey | GCCACJODEJGKFJ-AFJVXHOGSA-N |
| Molecular Weight | 565.813 g/mol |
| SMILES | OC(CCC(O[C@]1(CC2CCC3C(C2(CC1)C)CCC1(C3CCC1C(CCc1nc2ccccc2s1)C)C)[H])=O)=O |
| SPLASH | splash10-03dj-2900000000-70563ecd770910537114 |
| Source of Spectrum | G-60-273-0 |
| Wiley ID | 748920 |