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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.)-

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
  • Download
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
PRIMARY
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
PRIMARY
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
PRIMARY