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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30O3
Molecular Weight 342.4718
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRADIOL 17-BUTYRATE

SMILES

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

InChI

InChIKey=XRKFWLKYSYKIKT-KOVVAJLHSA-N
InChI=1S/C22H30O3/c1-3-4-21(24)25-20-10-9-19-18-7-5-14-13-15(23)6-8-16(14)17(18)11-12-22(19,20)2/h6,8,13,17-20,23H,3-5,7,9-12H2,1-2H3/t17-,18-,19+,20+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H30O3
Molecular Weight 342.4718
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 05:01:39 GMT 2023
Edited
by admin
on Sat Dec 16 05:01:39 GMT 2023
Record UNII
340308DJ8M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESTRADIOL 17-BUTYRATE
Common Name English
3-HYDROXYESTRA-1,3,5(10)-TRIEN-17.BETA.-YL BUTANOATE
Systematic Name English
ESTRADIOL VALERATE IMPURITY F [EP IMPURITY]
Common Name English
ESTRADIOL, 17-BUTYRATE
Common Name English
ESTRADIOL BUTYRATE
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)-, 17-BUTANOATE
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
241-977-5
Created by admin on Sat Dec 16 05:01:39 GMT 2023 , Edited by admin on Sat Dec 16 05:01:39 GMT 2023
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FDA UNII
340308DJ8M
Created by admin on Sat Dec 16 05:01:39 GMT 2023 , Edited by admin on Sat Dec 16 05:01:39 GMT 2023
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EPA CompTox
DTXSID90939375
Created by admin on Sat Dec 16 05:01:39 GMT 2023 , Edited by admin on Sat Dec 16 05:01:39 GMT 2023
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CAS
18069-79-9
Created by admin on Sat Dec 16 05:01:39 GMT 2023 , Edited by admin on Sat Dec 16 05:01:39 GMT 2023
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PUBCHEM
66845
Created by admin on Sat Dec 16 05:01:39 GMT 2023 , Edited by admin on Sat Dec 16 05:01:39 GMT 2023
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