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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H29ClO4
Molecular Weight 404.927
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17-(ACETYLOXY)-6-CHLORO-PREGNA-1,4-DIENE-3,20-DIONE, (6.ALPHA.)-

SMILES

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

InChI

InChIKey=AQDNTKZTMCWYDA-WXLIAARGSA-N
InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h5,8,11,16-18,20H,6-7,9-10,12H2,1-4H3/t16-,17+,18+,20+,21-,22+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H29ClO4
Molecular Weight 404.927
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
8IVS3A4Y7Z
Record Status Validated (UNII)
Record Version