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Details

Stereochemistry ACHIRAL
Molecular Formula C24H31ClO5
Molecular Weight 434.953
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 21-CHLORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))PREGNA-1,4-DIENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-

SMILES

CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CCl

InChI

InChIKey=NDBLUKGHBOYXNG-LECWWXJVSA-N
InChI=1S/C24H31ClO5/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H31ClO5
Molecular Weight 434.953
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 17:55:22 GMT 2025
Edited
by admin
on Mon Mar 31 17:55:22 GMT 2025
Record UNII
YSR70B8ZMS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
21-CHLORO-11B,16A,17-TRIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE-16,17-ACETONIDE
Preferred Name English
21-CHLORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))PREGNA-1,4-DIENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 21-CHLORO-11.BETA.,16.ALPHA.,17-TRIHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 21-CHLORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (11.BETA.,16.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
749-69-9
Created by admin on Mon Mar 31 17:55:22 GMT 2025 , Edited by admin on Mon Mar 31 17:55:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID80225875
Created by admin on Mon Mar 31 17:55:22 GMT 2025 , Edited by admin on Mon Mar 31 17:55:22 GMT 2025
PRIMARY
PUBCHEM
78759271
Created by admin on Mon Mar 31 17:55:22 GMT 2025 , Edited by admin on Mon Mar 31 17:55:22 GMT 2025
PRIMARY
FDA UNII
YSR70B8ZMS
Created by admin on Mon Mar 31 17:55:22 GMT 2025 , Edited by admin on Mon Mar 31 17:55:22 GMT 2025
PRIMARY