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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H36Cl2O5
Molecular Weight 511.478
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9,11.BETA.-DICHLORO-17,21-DIHYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE 17-VALERATE

SMILES

CCCCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]12C)C(=O)CO

InChI

InChIKey=DSDBIZDVLQXTSI-OMPPIWKSSA-N
InChI=1S/C27H36Cl2O5/c1-5-6-7-23(33)34-27(22(32)15-30)16(2)12-20-19-9-8-17-13-18(31)10-11-24(17,3)26(19,29)21(28)14-25(20,27)4/h10-11,13,16,19-21,30H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H36Cl2O5
Molecular Weight 511.478
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 23:40:40 GMT 2025
Edited
by admin
on Mon Mar 31 23:40:40 GMT 2025
Record UNII
N7VL89RJ67
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9,11.BETA.-DICHLORO-17,21-DIHYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE 17-VALERATE
Systematic Name English
16.ALPHA.-METHYL-DICHLORISONE-17-VALERATE
Preferred Name English
VALERIC ACID, 17-ESTER WITH 9,11.BETA.-DICHLORO-17,21-DIHYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9,11-DICHLORO-21-HYDROXY-16-METHYL-17-((1-OXOPENTYL)OXY)-, (11.BETA.,16.ALPHA.)-
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9,11.BETA.-DICHLORO-17,21-DIHYDROXY-16.ALPHA.-METHYL-, 17-VALERATE
Systematic Name English
Code System Code Type Description
CAS
10549-90-3
Created by admin on Mon Mar 31 23:40:40 GMT 2025 , Edited by admin on Mon Mar 31 23:40:40 GMT 2025
PRIMARY
PUBCHEM
70476534
Created by admin on Mon Mar 31 23:40:40 GMT 2025 , Edited by admin on Mon Mar 31 23:40:40 GMT 2025
PRIMARY
FDA UNII
N7VL89RJ67
Created by admin on Mon Mar 31 23:40:40 GMT 2025 , Edited by admin on Mon Mar 31 23:40:40 GMT 2025
PRIMARY