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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H38Cl2O5
Molecular Weight 525.504
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-HEXANOATE

SMILES

CCCCCC(=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=OAARYLNQIRHZLO-SRASSGTMSA-N
InChI=1S/C28H38Cl2O5/c1-5-6-7-8-24(34)35-28(23(33)16-31)17(2)13-21-20-10-9-18-14-19(32)11-12-25(18,3)27(20,30)22(29)15-26(21,28)4/h11-12,14,17,20-22,31H,5-10,13,15-16H2,1-4H3/t17-,20+,21+,22+,25+,26+,27+,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H38Cl2O5
Molecular Weight 525.504
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 23:42:08 GMT 2025
Edited
by admin
on Mon Mar 31 23:42:08 GMT 2025
Record UNII
18L971DINT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
16.ALPHA.-METHYL-DICHLORISONE-17-HEXANOATE
Preferred Name English
9,11.BETA.-DICHLORO-17,21-DIHYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE 17-HEXANOATE
Systematic Name English
HEXANOIC 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.BETA.-DICHLORO-17,21-DIHYDROXY-16.ALPHA.-METHYL-, 17-HEXANOATE
Systematic Name English
Code System Code Type Description
FDA UNII
18L971DINT
Created by admin on Mon Mar 31 23:42:08 GMT 2025 , Edited by admin on Mon Mar 31 23:42:08 GMT 2025
PRIMARY
PUBCHEM
109374015
Created by admin on Mon Mar 31 23:42:08 GMT 2025 , Edited by admin on Mon Mar 31 23:42:08 GMT 2025
PRIMARY
CAS
14413-68-4
Created by admin on Mon Mar 31 23:42:08 GMT 2025 , Edited by admin on Mon Mar 31 23:42:08 GMT 2025
PRIMARY