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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O2
Molecular Weight 312.4458
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9.BETA.,10.ALPHA.,17.ALPHA.-PREGNA-4,6-DIENE-3,20-DIONE

SMILES

[H][C@@]12CC[C@@H](C(C)=O)[C@@]1(C)CC[C@]3([H])[C@@]2([H])C=CC4=CC(=O)CC[C@@]34C

InChI

InChIKey=JGMOKGBVKVMRFX-POHNSKBLSA-N
InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17-,18-,19+,20+,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H28O2
Molecular Weight 312.4458
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:01:48 UTC 2023
Edited
by admin
on Sat Dec 16 04:01:48 UTC 2023
Record UNII
S48G465CS3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9.BETA.,10.ALPHA.,17.ALPHA.-PREGNA-4,6-DIENE-3,20-DIONE
Systematic Name English
PREGNA-4,6-DIENE-3,20-DIONE, (9.BETA.,10.ALPHA.,17.ALPHA.)-
Systematic Name English
DYDROGESTERONE IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
S48G465CS3
Created by admin on Sat Dec 16 04:01:48 UTC 2023 , Edited by admin on Sat Dec 16 04:01:48 UTC 2023
PRIMARY
CAS
246038-13-1
Created by admin on Sat Dec 16 04:01:48 UTC 2023 , Edited by admin on Sat Dec 16 04:01:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID70179353
Created by admin on Sat Dec 16 04:01:48 UTC 2023 , Edited by admin on Sat Dec 16 04:01:48 UTC 2023
PRIMARY
PUBCHEM
1547487
Created by admin on Sat Dec 16 04:01:48 UTC 2023 , Edited by admin on Sat Dec 16 04:01:48 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
at 280 nm
ASSAY (HPLC)
EP