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Details

Stereochemistry UNKNOWN
Molecular Formula C20H26O9
Molecular Weight 410.415
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of STIRIPENTOL GLUCURONIDE

SMILES

CC(C)(C)C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)\C=C\C2=CC3=C(OCO3)C=C2

InChI

InChIKey=CUETXBZMNNKCCI-KJIBAUPNSA-N
InChI=1S/C20H26O9/c1-20(2,3)13(7-5-10-4-6-11-12(8-10)27-9-26-11)28-19-16(23)14(21)15(22)17(29-19)18(24)25/h4-8,13-17,19,21-23H,9H2,1-3H3,(H,24,25)/b7-5+/t13?,14-,15-,16+,17-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H26O9
Molecular Weight 410.415
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
NHD2GPH93H
Record Status Validated (UNII)
Record Version