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Details

Stereochemistry ACHIRAL
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 6-KETOESTRADIOL

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=CC=C(O)C=C4C(=O)C[C@@]23[H]

InChI

InChIKey=ZHTDDOWJIRXOMA-YVEZLPLXSA-N
InChI=1S/C18H22O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15,17,19,21H,4-7,9H2,1H3/t12-,13-,15+,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 Sat Dec 16 11:28:15 UTC 2023
Edited
by admin
on Sat Dec 16 11:28:15 UTC 2023
Record UNII
BZ2CJW3GSE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-KETOESTRADIOL
Common Name English
NSC-147966
Code English
(17.BETA.)-3,17-DIHYDROXYESTRA-1,3,5(10)-TRIEN-6-ONE
Common Name English
ESTRA-1,3,5(10)-TRIEN-6-ONE, 3,17-DIHYDROXY-, (17.BETA.)-
Systematic Name English
Code System Code Type Description
RS_ITEM_NUM
1250041
Created by admin on Sat Dec 16 11:28:15 UTC 2023 , Edited by admin on Sat Dec 16 11:28:15 UTC 2023
PRIMARY
FDA UNII
BZ2CJW3GSE
Created by admin on Sat Dec 16 11:28:15 UTC 2023 , Edited by admin on Sat Dec 16 11:28:15 UTC 2023
PRIMARY
PUBCHEM
66419
Created by admin on Sat Dec 16 11:28:15 UTC 2023 , Edited by admin on Sat Dec 16 11:28:15 UTC 2023
PRIMARY
EPA CompTox
DTXSID50972566
Created by admin on Sat Dec 16 11:28:15 UTC 2023 , Edited by admin on Sat Dec 16 11:28:15 UTC 2023
PRIMARY
CAS
571-92-6
Created by admin on Sat Dec 16 11:28:15 UTC 2023 , Edited by admin on Sat Dec 16 11:28:15 UTC 2023
PRIMARY
NSC
147966
Created by admin on Sat Dec 16 11:28:15 UTC 2023 , Edited by admin on Sat Dec 16 11:28:15 UTC 2023
PRIMARY
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