| SpectraBase Compound ID | Lrd7LQaBgz7 |
|---|---|
| InChI | InChI=1S/C21H29ClO4/c1-19-7-5-17-15(16(19)6-9-21(19,26)18(25)11-23)3-2-13-10-14(24)4-8-20(13,17)12-22/h10,15-17,23,26H,2-9,11-12H2,1H3 |
| InChIKey | OJDUBRVUHXGJJF-UHFFFAOYSA-N |
| Mol Weight | 380.91 g/mol |
| Molecular Formula | C21H29ClO4 |
| Exact Mass | 380.175437 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HmpA6Iv6a2n |
|---|---|
| Name | Pregn-4-ene-3,20-dione, 19-chloro-17,21-dihydroxy- |
| Alternate Name(s) | 19-Chloro-17,21-dihydroxypregn-4-ene-3,20-dione 10-(chloromethyl)-13-methyl-17-oxidanyl-17-(2-oxidanylethanoyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one 10-(chloromethyl)-17-glycoloyl-17-hydroxy-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one 10-(chloromethyl)-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one 10-(chloromethyl)-17-hydroxy-17-(2-hydroxyacetyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one |
| CAS Registry Number | 4050-05-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H29ClO4 |
| InChI | InChI=1S/C21H29ClO4/c1-19-7-5-17-15(16(19)6-9-21(19,26)18(25)11-23)3-2-13-10-14(24)4-8-20(13,17)12-22/h10,15-17,23,26H,2-9,11-12H2,1H3 |
| InChIKey | OJDUBRVUHXGJJF-UHFFFAOYSA-N |
| Molecular Weight | 380.912 g/mol |
| SMILES | OCC(C1(C2(C(C3C(C4(CCl)C(CC3)=CC(CC4)=O)CC2)CC1)C)O)=O |
| SPLASH | splash10-0006-6935000000-8fdf195222050c30b3af |
| Source of Spectrum | EP-1323-0-0 |
| Wiley ID | 1359717 |