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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H30O5
Molecular Weight 386.4813
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANDROSTA-1,4-DIENE-3,17-DIONE, 11-HYDROXY-16-(1-OXOBUTOXY)-, (11.BETA.,16.ALPHA.)-

SMILES

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

InChI

InChIKey=GOJZZYSAJXCRGI-KXGXINSVSA-N
InChI=1S/C23H30O5/c1-4-5-19(26)28-18-11-16-15-7-6-13-10-14(24)8-9-22(13,2)20(15)17(25)12-23(16,3)21(18)27/h8-10,15-18,20,25H,4-7,11-12H2,1-3H3/t15-,16-,17-,18+,20+,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H30O5
Molecular Weight 386.4813
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 23:54:44 UTC 2023
Edited
by admin
on Thu Jul 06 23:54:44 UTC 2023
Record UNII
PQ6YR237PB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANDROSTA-1,4-DIENE-3,17-DIONE, 11-HYDROXY-16-(1-OXOBUTOXY)-, (11.BETA.,16.ALPHA.)-
Systematic Name English
(11.BETA.,16.ALPHA.)-11-HYDROXY-16-(1-OXOBUTOXY)ANDROSTA-1,4-DIENE-3,17-DIONE
Systematic Name English
Code System Code Type Description
CAS
85234-64-6
Created by admin on Thu Jul 06 23:54:45 UTC 2023 , Edited by admin on Thu Jul 06 23:54:45 UTC 2023
PRIMARY
FDA UNII
PQ6YR237PB
Created by admin on Thu Jul 06 23:54:45 UTC 2023 , Edited by admin on Thu Jul 06 23:54:45 UTC 2023
PRIMARY
PUBCHEM
131668294
Created by admin on Thu Jul 06 23:54:45 UTC 2023 , Edited by admin on Thu Jul 06 23:54:45 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
Implied to be a potential or real impurity