| SpectraBase Compound ID | JKU0GGVP2iz |
|---|---|
| InChI | InChI=1S/C31H42O8S/c1-18-6-9-23(10-7-18)40(36,37)39-26-16-30(5)25(14-19(2)31(30,35)27(34)17-38-20(3)32)24-11-8-21-15-22(33)12-13-29(21,4)28(24)26/h6-7,9-10,19,21,24-26,28,35H,8,11-17H2,1-5H3/t19-,21?,24?,25?,26-,28?,29+,30+,31+/m0/s1 |
| InChIKey | BAOPJFFGWAXPHH-JFIZOFMRSA-N |
| Mol Weight | 574.7 g/mol |
| Molecular Formula | C31H42O8S |
| Exact Mass | 574.260039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3mcoUnbnmGV |
|---|---|
| Name | 21-ACETOXY-17A-HYDROXY-16A-METHYL-11A-TOSYL-5A-PREGNA-3,20-DIONE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H42O8S |
| InChI | InChI=1S/C31H42O8S/c1-18-6-9-23(10-7-18)40(36,37)39-26-16-30(5)25(14-19(2)31(30,35)27(34)17-38-20(3)32)24-11-8-21-15-22(33)12-13-29(21,4)28(24)26/h6-7,9-10,19,21,24-26,28,35H,8,11-17H2,1-5H3/t19-,21?,24?,25?,26-,28?,29+,30+,31+/m0/s1 |
| InChIKey | BAOPJFFGWAXPHH-JFIZOFMRSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |