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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H20O3
Molecular Weight 284.3496
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16.ALPHA.-HYDROXYESTRA-4,9,11-TRIEN-3,17-DIONE

SMILES

[H][C@@]12C[C@@H](O)C(=O)[C@@]1(C)C=CC3=C4CCC(=O)C=C4CC[C@@]23[H]

InChI

InChIKey=YMBORNLWDZOTOA-HPFXQQBRSA-N
InChI=1S/C18H20O3/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/h6-8,14-16,20H,2-5,9H2,1H3/t14-,15+,16-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H20O3
Molecular Weight 284.3496
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:52:32 GMT 2023
Edited
by admin
on Fri Dec 15 17:52:32 GMT 2023
Record UNII
60HZ3YZX4N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
16.ALPHA.-HYDROXYESTRA-4,9,11-TRIEN-3,17-DIONE
Systematic Name English
ESTRA-4,9,11-TRIENE-3,17-DIONE, 16-HYDROXY-, (16.ALPHA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
60HZ3YZX4N
Created by admin on Fri Dec 15 17:52:32 GMT 2023 , Edited by admin on Fri Dec 15 17:52:32 GMT 2023
PRIMARY
CAS
80777-59-9
Created by admin on Fri Dec 15 17:52:32 GMT 2023 , Edited by admin on Fri Dec 15 17:52:32 GMT 2023
PRIMARY
PUBCHEM
157694
Created by admin on Fri Dec 15 17:52:32 GMT 2023 , Edited by admin on Fri Dec 15 17:52:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID101001496
Created by admin on Fri Dec 15 17:52:32 GMT 2023 , Edited by admin on Fri Dec 15 17:52:32 GMT 2023
PRIMARY