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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H28O3
Molecular Weight 376.488
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRADIOL 17-BENZOATE

SMILES

[H][C@@]12CC[C@H](OC(=O)C3=CC=CC=C3)[C@@]1(C)CC[C@]4([H])C5=C(CC[C@@]24[H])C=C(O)C=C5

InChI

InChIKey=AAGOOGMSOHOVSE-BZDYCCQFSA-N
InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(26)15-17(19)7-9-21(20)22(25)11-12-23(25)28-24(27)16-5-3-2-4-6-16/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H28O3
Molecular Weight 376.488
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 06:50:04 GMT 2023
Edited
by admin
on Sat Dec 16 06:50:04 GMT 2023
Record UNII
3GFX41Z289
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESTRADIOL 17-BENZOATE
Common Name English
ESTRADIOL, 17-BENZOATE
Common Name English
ESTRADIOL BENZOATE IMPURITY D [EP IMPURITY]
Common Name English
ZYC-30
Code English
1,3,5(10)-ESTRATRIENE-3,17.BETA.-DIOL 17-BENZOATE
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Estradiol 17β-benzoate
Created by admin on Sat Dec 16 06:50:04 GMT 2023 , Edited by admin on Sat Dec 16 06:50:04 GMT 2023
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EPA CompTox
DTXSID90243545
Created by admin on Sat Dec 16 06:50:04 GMT 2023 , Edited by admin on Sat Dec 16 06:50:04 GMT 2023
PRIMARY
PUBCHEM
66420
Created by admin on Sat Dec 16 06:50:04 GMT 2023 , Edited by admin on Sat Dec 16 06:50:04 GMT 2023
PRIMARY
FDA UNII
3GFX41Z289
Created by admin on Sat Dec 16 06:50:04 GMT 2023 , Edited by admin on Sat Dec 16 06:50:04 GMT 2023
PRIMARY
CAS
983-30-2
Created by admin on Sat Dec 16 06:50:04 GMT 2023 , Edited by admin on Sat Dec 16 06:50:04 GMT 2023
PRIMARY