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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H38O4
Molecular Weight 354.524
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of AGN-191129

SMILES

CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCCOC

InChI

InChIKey=VWEVSUSNDAHANL-GPPPFWBLSA-N
InChI=1S/C21H38O4/c1-3-4-8-11-17(22)13-14-19-18(20(23)16-21(19)24)12-9-6-5-7-10-15-25-2/h6,9,13-14,17-24H,3-5,7-8,10-12,15-16H2,1-2H3/b9-6-,14-13+/t17-,18+,19+,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H38O4
Molecular Weight 354.524
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
NK1168QB5T
Record Status Validated (UNII)
Record Version