(11β)-21-[[4-(Chloromethyl)benzoyl]oxy]-11,17-dihydroxypregna-1,4-diene-3,20-dione
CAS Registry Number®
571186-61-3
No image available.
CAS Name
(11β)-21-[[4-(Chloromethyl)benzoyl]oxy]-11,17-dihydroxypregna-1,4-diene-3,20-dioneMolecular Formula
C29H33ClO6Molecular Mass
513.02Cite this Page
(11β)-21-[[4-(Chloromethyl)benzoyl]oxy]-11,17-dihydroxypregna-1,4-diene-3,20-dione. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=571186-61-3 (retrieved ) (CAS RN: 571186-61-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C29H33ClO6/c1-27-11-9-20(31)13-19(27)7-8-21-22-10-12-29(35,28(22,2)14-23(32)25(21)27)24(33)16-36-26(34)18-5-3-17(15-30)4-6-18/h3-6,9,11,13,21-23,25,32,35H,7-8,10,12,14-16H2,1-2H3/t21-,22-,23-,25+,27-,28-,29-/m0/s1
InChIKey
InChIKey=WNAZHDOSLIXHIM-KGWLDMEJSA-N
SMILES
C[C@@]12[C@]([C@]3([C@]([C@@H](O)C1)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])(CC[C@@]2(C(COC(=O)C5=CC=C(CCl)C=C5)=O)O)[H]
Canonical SMILES
O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)COC(=O)C5=CC=C(C=C5)CCl)C4(C)CC(O)C32)C
Other Names for this Substance
- Pregna-1,4-diene-3,20-dione, 21-[[4-(chloromethyl)benzoyl]oxy]-11,17-dihydroxy-, (11β)-
- (11β)-21-[[4-(Chloromethyl)benzoyl]oxy]-11,17-dihydroxypregna-1,4-diene-3,20-dione