9,11.BETA.-DICHLORO-17,21-DIHYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE DIHEXANOATE

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

Structure Search

SMILES

CCCCCC(=O)OCC(=O)[C@@]1(OC(=O)CCCCC)[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

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 `Mon Mar 31 17:57:35 GMT 2025` Edited by `admin` on `Mon Mar 31 17:57:35 GMT 2025`
Record UNII	ZA25LM06WP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

16.ALPHA.-METHYL-DICHLORISONE-17,21-DIHEXANOATE

Preferred Name

English

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

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 Mon Mar 31 17:57:35 GMT 2025 , Edited by admin on Mon Mar 31 17:57:35 GMT 2025

PRIMARY

CAS

14413-71-9

Created by admin on Mon Mar 31 17:57:35 GMT 2025 , Edited by admin on Mon Mar 31 17:57:35 GMT 2025

PRIMARY

PUBCHEM

109374219

Created by admin on Mon Mar 31 17:57:35 GMT 2025 , Edited by admin on Mon Mar 31 17:57:35 GMT 2025

PRIMARY