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Details

Stereochemistry RACEMIC
Molecular Formula C20H28O4
Molecular Weight 332.4339
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CANNABITRIOL, (±)-

SMILES

CCCCCC1=CC(O)=C2C(OC(C)(C)C3=C2[C@H](O)[C@@H](O)CC3)=C1

InChI

InChIKey=MKLGOBHFQLDLCE-IFXJQAMLSA-N
InChI=1S/C20H28O4/c1-4-5-6-7-12-10-15(22)18-16(11-12)24-20(2,3)13-8-9-14(21)19(23)17(13)18/h10-11,14,19,21-23H,4-9H2,1-3H3/t14-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H28O4
Molecular Weight 332.4339
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
FV3E92D97V
Record Status Validated (UNII)
Record Version