| SpectraBase Compound ID | HaT8k4vGu2m |
|---|---|
| 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+/m1/s1 |
| InChIKey | BAOPJFFGWAXPHH-ROZYOPKOSA-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 | 27WKAwWXgVS |
|---|---|
| Name | 21-ACETOXY-17-ALPHA-HYDROXY-16-ALPHA-METHYL-11-ALPHA-TOSYL-5-ALPHA-PREGNAN-3,20-DIONE |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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+/m1/s1 |
| InChIKey | BAOPJFFGWAXPHH-ROZYOPKOSA-N |
| Literature Reference Author | J.A.R.GARCIA,F.A.V.NAVARRO,H.T.V.CASTRO |
| Literature Reference Citation | MAGN.RES.CHEM.,32,547(1994) |
| Literature Reference DOI | 10.1002/mrc.1260320909 |
| Molecular Weight | 574.730 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP892 |