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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H48Cl2O6
Molecular Weight 623.647
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 21-(2-ETHYLBUTYRATE) 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)COC(=O)C(CC)CC

InChI

InChIKey=GQZYGGCQCUTHJK-SQTWPMSXSA-N
InChI=1S/C34H48Cl2O6/c1-7-10-11-12-29(39)42-34(28(38)20-41-30(40)22(8-2)9-3)21(4)17-26-25-14-13-23-18-24(37)15-16-31(23,5)33(25,36)27(35)19-32(26,34)6/h15-16,18,21-22,25-27H,7-14,17,19-20H2,1-6H3/t21-,25+,26+,27+,31+,32+,33+,34+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
9,11.BETA.-DICHLORO-17,21-DIHYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-(2-ETHYLBUTYRATE) 17-HEXANOATE
Common Name English
BUTYRIC ACID, 2-ETHYL-, 21-ESTER WITH 9,11.BETA.-DICHLORO-17,21-DIHYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE 17-HEXANOATE
Preferred Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9,11.BETA.-DICHLORO-17,21-DIHYDROXY-16.ALPHA.-METHYL-, 21-(2-ETHYLBUTYRATE) 17-HEXANOATE
Systematic Name English
Code System Code Type Description
PUBCHEM
90478350
Created by admin on Mon Mar 31 18:08:02 GMT 2025 , Edited by admin on Mon Mar 31 18:08:02 GMT 2025
PRIMARY
CAS
15143-17-6
Created by admin on Mon Mar 31 18:08:02 GMT 2025 , Edited by admin on Mon Mar 31 18:08:02 GMT 2025
PRIMARY
FDA UNII
76M3E5QJKE
Created by admin on Mon Mar 31 18:08:02 GMT 2025 , Edited by admin on Mon Mar 31 18:08:02 GMT 2025
PRIMARY