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Details

Stereochemistry RACEMIC
Molecular Formula C18H24O2
Molecular Weight 272.382
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

CC1=CC2=C(C=C1O)[C@@]3(C)CCCC(C)(C)[C@@H]3CC2=O

InChI

InChIKey=XVAVQANUJQBBFF-FUHWJXTLSA-N
InChI=1S/C18H24O2/c1-11-8-12-13(9-14(11)19)18(4)7-5-6-17(2,3)16(18)10-15(12)20/h8-9,16,19H,5-7,10H2,1-4H3/t16-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H24O2
Molecular Weight 272.382
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
R98DK0A54O
Record Status Validated (UNII)
Record Version