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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H28O3
Molecular Weight 376.489
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRADIOL 17-BENZOATE

SMILES

C[C@@]12CC[C@]3([H])c4ccc(cc4CC[C@@]3([H])[C@]2([H])CC[C@]1([H])OC(=O)c5ccccc5)O

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 376.489
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 Jun 26 16:41:27 UTC 2021
Edited
by admin
on Sat Jun 26 16:41:27 UTC 2021
Record UNII
3GFX41Z289
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESTRADIOL 17-BENZOATE
Common Name English
ESTRADIOL BENZOATE IMPURITY D [EP]
Common Name English
ESTRADIOL, 17-BENZOATE
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
EPA CompTox
983-30-2
Created by admin on Sat Jun 26 16:41:27 UTC 2021 , Edited by admin on Sat Jun 26 16:41:27 UTC 2021
PRIMARY
PUBCHEM
66420
Created by admin on Sat Jun 26 16:41:27 UTC 2021 , Edited by admin on Sat Jun 26 16:41:27 UTC 2021
PRIMARY
FDA UNII
3GFX41Z289
Created by admin on Sat Jun 26 16:41:27 UTC 2021 , Edited by admin on Sat Jun 26 16:41:27 UTC 2021
PRIMARY
CAS
983-30-2
Created by admin on Sat Jun 26 16:41:27 UTC 2021 , Edited by admin on Sat Jun 26 16:41:27 UTC 2021
PRIMARY