| SpectraBase Compound ID | 8zMrl0A28aq |
|---|---|
| InChI | InChI=1S/C22H33IO3/c1-14(25)18-5-6-20-17-4-3-15-11-16(26-13-24)7-9-21(15,2)19(17)8-10-22(18,20)12-23/h3,13-14,16-20,25H,4-12H2,1-2H3/t14-,16-,17+,18+,19-,20-,21-,22-/m0/s1 |
| InChIKey | RYMXRQINTXNEAS-QLPKIABKSA-N |
| Mol Weight | 472.4 g/mol |
| Molecular Formula | C22H33IO3 |
| Exact Mass | 472.14744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4it1JD5ST42 |
|---|---|
| Name | 3-BETA-FORMYLOXY-20-BETA-HYDROXY-18-IODO-PREGN-5-ENE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H33IO3 |
| InChI | InChI=1S/C22H33IO3/c1-14(25)18-5-6-20-17-4-3-15-11-16(26-13-24)7-9-21(15,2)19(17)8-10-22(18,20)12-23/h3,13-14,16-20,25H,4-12H2,1-2H3/t14-,16-,17+,18+,19-,20-,21-,22-/m0/s1 |
| InChIKey | RYMXRQINTXNEAS-QLPKIABKSA-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 | 472.407 g/mol |
| Sample ID | 968653 |
| Solvent | CDCl3 |