| SpectraBase Compound ID | BtyRoUofnZc |
|---|---|
| InChI | InChI=1S/C31H39NO4S/c1-20(33)37-26-18-22-17-23(32-35-19-21-7-5-4-6-8-21)9-13-29(22,2)24-10-14-30(3)25(28(24)26)11-15-31(30)16-12-27(34)36-31/h4-8,17,24-26,28H,9-16,18-19H2,1-3H3/b32-23-/t24-,25-,26+,28+,29-,30-,31+/m0/s1 |
| InChIKey | NCMASTIZEDJCPF-BPVVGGNKSA-N |
| Mol Weight | 521.7 g/mol |
| Molecular Formula | C31H39NO4S |
| Exact Mass | 521.25998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L12WHg7WIdJ |
|---|---|
| Name | (SYN)-17-BETA-HYDROXY-7-ALPHA-ACETYLMERCAPTO-17-ALPHA-PREGN-4-EN-21-CARBOXYLIC-ACID-GAMMA-LACTONE-3-O-BENZYLOXIME |
| Compound Number | 15S |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H39NO4S |
| InChI | InChI=1S/C31H39NO4S/c1-20(33)37-26-18-22-17-23(32-35-19-21-7-5-4-6-8-21)9-13-29(22,2)24-10-14-30(3)25(28(24)26)11-15-31(30)16-12-27(34)36-31/h4-8,17,24-26,28H,9-16,18-19H2,1-3H3/b32-23-/t24-,25-,26+,28+,29-,30-,31+/m0/s1 |
| InChIKey | NCMASTIZEDJCPF-BPVVGGNKSA-N |
| Literature Reference Author | P.SOHAR,A.BODOR,R.SCHWARTZ |
| Literature Reference Citation | STEROIDS,64,246(1999) |
| Literature Reference DOI | 10.1016/s0039-128x(98)00111-1 |
| Molecular Weight | 521.715 g/mol |
| Sample ID | 968666 |
| Solvent | CDCl3 |