Pregna-1,4-diene-3,20-dione, 9,11-dichloro-21-hydroxy-16-methyl-, (11β,16α)-
CAS Registry Number®
65049-45-8
CAS Name
Pregna-1,4-diene-3,20-dione, 9,11-dichloro-21-hydroxy-16-methyl-, (11β,16α)-Molecular Formula
C22H28Cl2O3Molecular Mass
411.36Cite this Page
Pregna-1,4-diene-3,20-dione, 9,11-dichloro-21-hydroxy-16-methyl-, (11β,16α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=65049-45-8 (retrieved ) (CAS RN: 65049-45-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C22H28Cl2O3/c1-12-8-16-15-5-4-13-9-14(26)6-7-21(13,3)22(15,24)18(23)10-20(16,2)19(12)17(27)11-25/h6-7,9,12,15-16,18-19,25H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22+/m1/s1
InChIKey
InChIKey=FKRMBGXNTOTQDI-IIEHVVJPSA-N
SMILES
Cl[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1Cl)[C@@H](C(CO)=O)[C@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
Canonical SMILES
O=C1C=CC2(C(=C1)CCC3C4CC(C)C(C(=O)CO)C4(C)CC(Cl)C32Cl)C
Other Names for this Substance
- Pregna-1,4-diene-3,20-dione, 9,11-dichloro-21-hydroxy-16-methyl-, (11β,16α)-
- RU 24476