| SpectraBase Compound ID | L16tecxQb43 |
|---|---|
| InChI | InChI=1S/C34H47NO4S/c1-20(10-15-32-35-29-8-6-7-9-30(29)40-32)26-13-14-27-25-12-11-23-18-24(38-21(2)36)16-17-33(23,4)28(25)19-31(34(26,27)5)39-22(3)37/h6-9,20,23-28,31H,10-19H2,1-5H3/t20?,23?,24-,25?,26?,27?,28?,31+,33?,34?/m1/s1 |
| InChIKey | JFDWAERSFVHPEI-KEMFSQBYSA-N |
| Mol Weight | 565.8 g/mol |
| Molecular Formula | C34H47NO4S |
| Exact Mass | 565.32258 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KxjjmW1TkOH |
|---|---|
| Name | 23-(Benzothiazol-2'-yl)-3.alpha.,12.alpha.-diacetoxynor-cholane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H47NO4S |
| InChI | InChI=1S/C34H47NO4S/c1-20(10-15-32-35-29-8-6-7-9-30(29)40-32)26-13-14-27-25-12-11-23-18-24(38-21(2)36)16-17-33(23,4)28(25)19-31(34(26,27)5)39-22(3)37/h6-9,20,23-28,31H,10-19H2,1-5H3/t20?,23?,24-,25?,26?,27?,28?,31+,33?,34?/m1/s1 |
| InChIKey | JFDWAERSFVHPEI-KEMFSQBYSA-N |
| Molecular Weight | 565.813 g/mol |
| SMILES | C12(C(C3C(C4(C(C[C@](OC(=O)C)(CC4)[H])CC3)C)C[C@@]1(OC(=O)C)[H])CCC2C(CCc1nc2ccccc2s1)C)C |
| SPLASH | splash10-01ot-2900000000-8f3813677982477fa8f8 |
| Source of Spectrum | G-60-272-0 |
| Wiley ID | 748922 |