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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24O4
Molecular Weight 328.4022
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16.ALPHA.-LE2

SMILES

[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(O)=CC=C5[C@@]4([H])CC[C@]3(C)[C@]1(O)CC(=O)O2

InChI

InChIKey=NLUGVTJBNRSIKH-UQZPWQSVSA-N
InChI=1S/C20H24O4/c1-19-7-6-14-13-5-3-12(21)8-11(13)2-4-15(14)16(19)9-17-20(19,23)10-18(22)24-17/h3,5,8,14-17,21,23H,2,4,6-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H24O4
Molecular Weight 328.4022
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:30:27 UTC 2023
Edited
by admin
on Sat Dec 16 17:30:27 UTC 2023
Record UNII
Z7DNN9U8AE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
16.ALPHA.-LE2
Common Name English
19-NORPREGNA-1,3,5(10)-TRIEN-21-OIC ACID, 3,16,17-TRIHYDROXY-, .GAMMA.-LACTONE, (16.ALPHA.,17.ALPHA.)-
Systematic Name English
3,17.BETA.-DIHYDROXY-19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIENE-21,16.ALPHA.-LACTONE
Systematic Name English
ZK-281471
Code English
Code System Code Type Description
EPA CompTox
DTXSID401047811
Created by admin on Sat Dec 16 17:30:28 UTC 2023 , Edited by admin on Sat Dec 16 17:30:28 UTC 2023
PRIMARY
PUBCHEM
9862250
Created by admin on Sat Dec 16 17:30:28 UTC 2023 , Edited by admin on Sat Dec 16 17:30:28 UTC 2023
PRIMARY
WIKIPEDIA
16α-LE2
Created by admin on Sat Dec 16 17:30:28 UTC 2023 , Edited by admin on Sat Dec 16 17:30:28 UTC 2023
PRIMARY
FDA UNII
Z7DNN9U8AE
Created by admin on Sat Dec 16 17:30:28 UTC 2023 , Edited by admin on Sat Dec 16 17:30:28 UTC 2023
PRIMARY
CAS
406483-39-4
Created by admin on Sat Dec 16 17:30:28 UTC 2023 , Edited by admin on Sat Dec 16 17:30:28 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
TARGET -> AGONIST