9.ALPHA.,11.BETA.-DICHLORO-6.ALPHA.-FLUORO-17.ALPHA.,21-DIHYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE DIACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H31Cl2FO6
Molecular Weight	529.425
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 9.ALPHA.,11.BETA.-DICHLORO-6.ALPHA.-FLUORO-17.ALPHA.,21-DIHYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE DIACETATE

Structure Search

SMILES

[H][C@@]12C[C@@H](C)[C@](OC(C)=O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](Cl)[C@@]3(Cl)[C@@]2([H])C[C@H](F)C4=CC(=O)C=C[C@]34C

InChI

InChIKey=BCHYZLWTKAJUGC-YOCYGPNRSA-N

InChI=1S/C26H31Cl2FO6/c1-13-8-17-18-10-20(29)19-9-16(32)6-7-23(19,4)25(18,28)21(27)11-24(17,5)26(13,35-15(3)31)22(33)12-34-14(2)30/h6-7,9,13,17-18,20-21H,8,10-12H2,1-5H3/t13-,17+,18+,20+,21+,23+,24+,25+,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H31Cl2FO6
Molecular Weight	529.425
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:15:52 GMT 2023` Edited by `admin` on `Sat Dec 16 10:15:52 GMT 2023`
Record UNII	Y4DH671GTJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

9.ALPHA.,11.BETA.-DICHLORO-6.ALPHA.-FLUORO-17.ALPHA.,21-DIHYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE DIACETATE

Common Name

English

PREGNA-1,4-DIENE-3,20-DIONE, 17,21-BIS(ACETYLOXY)-9,11-DICHLORO-6-FLUORO-16-METHYL-, (6.BETA.,11.BETA.,16.ALPHA.)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30209706