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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O4
Molecular Weight 347.4631
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-CARBOXY-11-NOR-.DELTA.8-TETRAHYDROCANNABINOL, (PENTYL-5,5,5-D3)-

SMILES

[2H]C([2H])([2H])CCCCC1=CC2=C([C@@H]3CC(=CC[C@H]3C(C)(C)O2)C(O)=O)C(O)=C1

InChI

InChIKey=OGXXAQFMAFTSRU-FWHYEAKOSA-N
InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h8,10-11,15-16,22H,4-7,9,12H2,1-3H3,(H,23,24)/t15-,16-/m1/s1/i1D3

HIDE SMILES / InChI

Molecular Formula C21H28O4
Molecular Weight 347.4631
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
VS9EG38QPG
Record Status Validated (UNII)
Record Version