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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H32Cl2O4
Molecular Weight	467.425
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 16.ALPHA.-METHYL DICHLORISONE-17,21-ACETONIDE

Structure Search

SMILES

[H][C@@]12C[C@@H](C)[C@@]3(OC(C)(C)OCC3=O)[C@@]1(C)C[C@H](Cl)[C@@]4(Cl)[C@@]2([H])CCC5=CC(=O)C=C[C@]45C

InChI

InChIKey=ZQTYPIRKACXRKR-OCUNRLNVSA-N

InChI=1S/C25H32Cl2O4/c1-14-10-18-17-7-6-15-11-16(28)8-9-22(15,4)24(17,27)19(26)12-23(18,5)25(14)20(29)13-30-21(2,3)31-25/h8-9,11,14,17-19H,6-7,10,12-13H2,1-5H3/t14-,17+,18+,19+,22+,23+,24+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H32Cl2O4
Molecular Weight	467.425
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 15:34:55 GMT 2023` Edited by `admin` on `Fri Dec 15 15:34:55 GMT 2023`
Record UNII	WQA3UI3DWN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

PREGNA-1,4-DIENE-3,20-DIONE, 9,11.BETA.-DICHLORO-17,21-DIHYDROXY-16.ALPHA.-METHYL-, CYCLIC ACETAL WITH ACETONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

133082925

Created by admin on Fri Dec 15 15:34:55 GMT 2023 , Edited by admin on Fri Dec 15 15:34:55 GMT 2023

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CAS

4735-67-5

Created by admin on Fri Dec 15 15:34:55 GMT 2023 , Edited by admin on Fri Dec 15 15:34:55 GMT 2023

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FDA UNII

WQA3UI3DWN

Created by admin on Fri Dec 15 15:34:55 GMT 2023 , Edited by admin on Fri Dec 15 15:34:55 GMT 2023

PRIMARY