Thebaine

Molecular structure via molpic based on CDK

Physical properties []
Molecular mass	311.4 g/mol [1]
Predicted LogP	2.2 [1]

Structural Identifiers []
Molecular formula	C19H21NO3 [1]
IUPAC name	(4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline [1]
SMILES	CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC [1]
InChI	InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1 [1]
InChIKey	FQXXSQDCDRQNQE-VMDGZTHMSA-N [1]

Thebaine

Thebaine (also known as Paramorphine, Thebain, 3-O-Methyl-oripavin, 4,5α-Epoxy-3,6-dimethoxy-17-methyl-6,8-morphinadien, (5R,9R,13S)-4,5-Epoxy-3,6-dimethoxy-9α-methyl-6,8-morphinadien, codeine methyl enol ether, IDS-NT-002, Ncgc00160239-01, 3,6-dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5α-epoxymorphinan or (5α)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan) is a substance of the morphinan class.

Chemistry