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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 DIHEXANOATE

SMILES

[H][C@@]12C[C@@H](C)[C@](OC(=O)CCCCC)(C(=O)COC(=O)CCCCC)[C@@]1(C)C[C@H](Cl)[C@@]3(Cl)[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=XAACJFWWKWBKCZ-VVSDBSIUSA-N
InChI=1S/C34H48Cl2O6/c1-6-8-10-12-29(39)41-21-28(38)34(42-30(40)13-11-9-7-2)22(3)18-26-25-15-14-23-19-24(37)16-17-31(23,4)33(25,36)27(35)20-32(26,34)5/h16-17,19,22,25-27H,6-15,18,20-21H2,1-5H3/t22-,25+,26+,27+,31+,32+,33+,34+/m1/s1

HIDE SMILES / InChI

Molecular Formula C34H48Cl2O6
Molecular Weight 623.647
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 Fri Dec 15 15:26:05 GMT 2023
Edited
by admin
on Fri Dec 15 15:26:05 GMT 2023
Record UNII
ZA25LM06WP
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 DIHEXANOATE
Common Name English
HEXANOIC ACID, DIESTER WITH 9,11.BETA.-DICHLORO-17,21-DIHYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
16.ALPHA.-METHYL-DICHLORISONE-17,21-DIHEXANOATE
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9,11.BETA.-DICHLORO-17,21-DIHYDROXY-16.ALPHA.-METHYL-, DIHEXANOATE
Systematic Name English
Code System Code Type Description
FDA UNII
ZA25LM06WP
Created by admin on Fri Dec 15 15:26:05 GMT 2023 , Edited by admin on Fri Dec 15 15:26:05 GMT 2023
PRIMARY
CAS
14413-71-9
Created by admin on Fri Dec 15 15:26:05 GMT 2023 , Edited by admin on Fri Dec 15 15:26:05 GMT 2023
PRIMARY
PUBCHEM
109374219
Created by admin on Fri Dec 15 15:26:05 GMT 2023 , Edited by admin on Fri Dec 15 15:26:05 GMT 2023
PRIMARY