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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H32O8
Molecular Weight 472.5285
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYNYLESTRADIOL-3-O-GLUCURONIDE

SMILES

C#C[C@@]1(CC[C@@]2([H])[C@]3([H])CCc4cc(ccc4[C@@]3([H])CC[C@@]21C)O[C@@]5([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O5)O)O)O)O

InChI

InChIKey=DYBBEZHAELJFKW-IWTIIAAJSA-N
InChI=1S/C26H32O8/c1-3-26(32)11-9-18-17-6-4-13-12-14(5-7-15(13)16(17)8-10-25(18,26)2)33-24-21(29)19(27)20(28)22(34-24)23(30)31/h1,5,7,12,16-22,24,27-29,32H,4,6,8-11H2,2H3,(H,30,31)/t16-,17-,18+,19+,20+,21-,22+,24-,25+,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H32O8
Molecular Weight 472.5285
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 13:50:27 UTC 2021
Edited
by admin
on Sat Jun 26 13:50:27 UTC 2021
Record UNII
W9MHL6CNMK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYNYLESTRADIOL-3-O-GLUCURONIDE
Common Name English
17.ALPHA.-ETHYNYLESTRADIOL 3-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (17.ALPHA.)-17-HYDROXY-19-NORPREGNA-1,3,5(10)-TRIEN-20-YN-3-YL
Systematic Name English
Code System Code Type Description
FDA UNII
W9MHL6CNMK
Created by admin on Sat Jun 26 13:50:28 UTC 2021 , Edited by admin on Sat Jun 26 13:50:28 UTC 2021
PRIMARY
PUBCHEM
9982244
Created by admin on Sat Jun 26 13:50:28 UTC 2021 , Edited by admin on Sat Jun 26 13:50:28 UTC 2021
PRIMARY
CAS
60134-76-1
Created by admin on Sat Jun 26 13:50:28 UTC 2021 , Edited by admin on Sat Jun 26 13:50:28 UTC 2021
PRIMARY
Related Record Type Details
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URINE