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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H28O8
Molecular Weight 444.4743
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DIETHYLSTILBESTROL MONOGLUCURONIDE

SMILES

CC\C(=C(\CC)C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C3=CC=C(O)C=C3

InChI

InChIKey=LJMPVHCKUXKZAV-PDSLVOJVSA-N
InChI=1S/C24H28O8/c1-3-17(13-5-9-15(25)10-6-13)18(4-2)14-7-11-16(12-8-14)31-24-21(28)19(26)20(27)22(32-24)23(29)30/h5-12,19-22,24-28H,3-4H2,1-2H3,(H,29,30)/b18-17+/t19-,20-,21+,22-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H28O8
Molecular Weight 444.4743
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
HCS07E193J
Record Status Validated (UNII)
Record Version