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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22O3
Molecular Weight 286.3655
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9(11)-DIDEHYDROESTRIOL

SMILES

C[C@]12CC=C3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1C[C@@H](O)[C@@H]2O

InChI

InChIKey=ZWHFPHWLYUMTGY-WKULXVSPSA-N
InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5-6,8,14-17,19-21H,2,4,7,9H2,1H3/t14-,15+,16-,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H22O3
Molecular Weight 286.3655
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:26:41 GMT 2025
Edited
by admin
on Tue Apr 01 16:26:41 GMT 2025
Record UNII
2FEM8A2HAS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESTRA-1,3,5(10),9(11)-TETRAENE-3,16,17-TRIOL
Preferred Name English
9(11)-DIDEHYDROESTRIOL
Systematic Name English
ESTRIOL RELATED COMPOUND A [USP-RS]
Common Name English
ESTRA-1,3,5(10),9(11)-TETRAENE-3,16,17-TRIOL, (16.ALPHA.,17.BETA.)-
Common Name English
ESTRIOL RELATED COMPOUND A [USP IMPURITY]
Common Name English
ESTRA-1,3,5(10),9(11)-TETRAENE-3,16ALPHA,17BETA-TRIOL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50432933
Created by admin on Tue Apr 01 16:26:41 GMT 2025 , Edited by admin on Tue Apr 01 16:26:41 GMT 2025
PRIMARY
FDA UNII
2FEM8A2HAS
Created by admin on Tue Apr 01 16:26:41 GMT 2025 , Edited by admin on Tue Apr 01 16:26:41 GMT 2025
PRIMARY
RS_ITEM_NUM
1254519
Created by admin on Tue Apr 01 16:26:41 GMT 2025 , Edited by admin on Tue Apr 01 16:26:41 GMT 2025
PRIMARY
SMS_ID
300000053056
Created by admin on Tue Apr 01 16:26:41 GMT 2025 , Edited by admin on Tue Apr 01 16:26:41 GMT 2025
PRIMARY
CAS
246021-20-5
Created by admin on Tue Apr 01 16:26:41 GMT 2025 , Edited by admin on Tue Apr 01 16:26:41 GMT 2025
PRIMARY
PUBCHEM
9925903
Created by admin on Tue Apr 01 16:26:41 GMT 2025 , Edited by admin on Tue Apr 01 16:26:41 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY