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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H32O3
Molecular Weight 356.4984
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRADIOL 3-PIVALATE

SMILES

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

InChI

InChIKey=LVPJFQMQWHLSQN-WCZGSDDISA-N
InChI=1S/C23H32O3/c1-22(2,3)21(25)26-15-6-8-16-14(13-15)5-7-18-17(16)11-12-23(4)19(18)9-10-20(23)24/h6,8,13,17-20,24H,5,7,9-12H2,1-4H3/t17-,18-,19+,20+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H32O3
Molecular Weight 356.4984
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 Fri Dec 15 15:10:49 UTC 2023
Edited
by admin
on Fri Dec 15 15:10:49 UTC 2023
Record UNII
E2ZLL4E609
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESTRADIOL 3-PIVALATE
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)-, 3-(2,2-DIMETHYLPROPANOATE)
Common Name English
Code System Code Type Description
FDA UNII
E2ZLL4E609
Created by admin on Fri Dec 15 15:10:49 UTC 2023 , Edited by admin on Fri Dec 15 15:10:49 UTC 2023
PRIMARY
PUBCHEM
10594457
Created by admin on Fri Dec 15 15:10:49 UTC 2023 , Edited by admin on Fri Dec 15 15:10:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID20216166
Created by admin on Fri Dec 15 15:10:49 UTC 2023 , Edited by admin on Fri Dec 15 15:10:49 UTC 2023
PRIMARY
CAS
65944-91-4
Created by admin on Fri Dec 15 15:10:49 UTC 2023 , Edited by admin on Fri Dec 15 15:10:49 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY