SpectraBase Compound ID | 9XEqjkz6SQo |
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InChI | InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1 |
InChIKey | WHBHBVVOGNECLV-OBQKJFGGSA-N |
Mol Weight | 346.47 g/mol |
Molecular Formula | C21H30O4 |
Exact Mass | 346.214409 g/mol |
SpectraBase Spectrum ID | GqnETJRXyeo |
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Name | Cortexolone |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 119644 |
CAS Registry Number | 152-58-9 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C21H30O4 |
InChI | InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1 |
InChIKey | WHBHBVVOGNECLV-OBQKJFGGSA-N |
Observed nucleus | 13C |
Purity | 98% |
Solvent | CDCl3 & DMSO-d6 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Wiley ID | SIAL_13CNMR_000539 |