(11β)-21-[[4-(Chloromethyl)benzoyl]oxy]-11,17-dihydroxypregna-1,4-diene-3,20-dione

CAS Registry Number®

571186-61-3
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CAS Name

(11β)-21-[[4-(Chloromethyl)benzoyl]oxy]-11,17-dihydroxypregna-1,4-diene-3,20-dione

Molecular Formula

C29H33ClO6

Molecular Mass

513.02

Cite 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 2024-09-10) (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