| SpectraBase Compound ID | 5nlmL20bYzu |
|---|---|
| InChI | InChI=1S/C21H29IO3/c1-12(23)16-4-5-17-15-3-2-13-8-14(24)6-7-20(13)11-25-18(19(15)20)9-21(16,17)10-22/h8,12,15-19,23H,2-7,9-11H2,1H3/t12-,15-,16+,17-,18?,19+,20+,21-/m0/s1 |
| InChIKey | VMXSYWRTSCXPKQ-ONRDWTOXSA-N |
| Mol Weight | 456.36 g/mol |
| Molecular Formula | C21H29IO3 |
| Exact Mass | 456.11614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8PK54nQoN9n |
|---|---|
| Name | 20-BETA-HYDROXY-18-IODO-11,19-OXIDO-PREGN-4-EN-3-ONE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H29IO3 |
| InChI | InChI=1S/C21H29IO3/c1-12(23)16-4-5-17-15-3-2-13-8-14(24)6-7-20(13)11-25-18(19(15)20)9-21(16,17)10-22/h8,12,15-19,23H,2-7,9-11H2,1H3/t12-,15-,16+,17-,18?,19+,20+,21-/m0/s1 |
| InChIKey | VMXSYWRTSCXPKQ-ONRDWTOXSA-N |
| Literature Reference Author | M.O.V.B.DOCTOROVICH,A.A.GHINI,G.BURTON |
| Literature Reference Citation | STEROIDS,61,345(1996) |
| Literature Reference DOI | 10.1016/0039-128x(96)00034-7 |
| Molecular Weight | 456.364 g/mol |
| Sample ID | 968650 |
| Solvent | CDCl3 |