21-(ACETYLOXY)-9,11-DICHLORO-16-METHYL-17-((1-OXOPENTYL)OXY)PREGNA-1,4-DIENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H38Cl2O6
Molecular Weight	553.514
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 21-(ACETYLOXY)-9,11-DICHLORO-16-METHYL-17-((1-OXOPENTYL)OXY)PREGNA-1,4-DIENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-

Structure Search

SMILES

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

InChI

InChIKey=QZQOLBFFBCYZDR-GQGOTNMPSA-N

InChI=1S/C29H38Cl2O6/c1-6-7-8-25(35)37-29(24(34)16-36-18(3)32)17(2)13-22-21-10-9-19-14-20(33)11-12-26(19,4)28(21,31)23(30)15-27(22,29)5/h11-12,14,17,21-23H,6-10,13,15-16H2,1-5H3/t17-,21+,22+,23+,26+,27+,28+,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H38Cl2O6
Molecular Weight	553.514
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 15:26:08 GMT 2023` Edited by `admin` on `Fri Dec 15 15:26:08 GMT 2023`
Record UNII	275180LIWM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

21-(ACETYLOXY)-9,11-DICHLORO-16-METHYL-17-((1-OXOPENTYL)OXY)PREGNA-1,4-DIENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-

Common Name

English

VALERIC ACID, 17-ESTER WITH 9,11.BETA.-DICHLORO-17,21-DIHYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE

Systematic Name

English

PREGNA-1,4-DIENE-3,20-DIONE, 9,11.BETA.-DICHLORO-17,21-DIHYDROXY-16.ALPHA.-METHYL-, 21-ACETATE 17-VALERATE

Systematic Name

English

PREGNA-1,4-DIENE-3,20-DIONE, 21-(ACETYLOXY)-9,11-DICHLORO-16-METHYL-17-((1-OXOPENTYL)OXY)-, (11.BETA.,16.ALPHA.)-

Common Name

English

Code System Code Type Description

PUBCHEM

90478449

Created by admin on Fri Dec 15 15:26:08 GMT 2023 , Edited by admin on Fri Dec 15 15:26:08 GMT 2023

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FDA UNII

275180LIWM

Created by admin on Fri Dec 15 15:26:08 GMT 2023 , Edited by admin on Fri Dec 15 15:26:08 GMT 2023

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CAS

15047-41-3

Created by admin on Fri Dec 15 15:26:08 GMT 2023 , Edited by admin on Fri Dec 15 15:26:08 GMT 2023

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