Cinnamolaurine
Cinnamolaurine.gif

Cinnamolaurine is an alkaloid present in sassafras.

PubChem Compound ID: 605463
Molecular Weight: 297.34836 [g/mol]
Molecular Formula: C18H19NO3
XLogP3-AA: 3.2
H-Bond Donor: 1
H-Bond Acceptor: 4
IUPAC Name: 4-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]phenol
InChI: InChI=1S/C18H19NO3/c1-19-7-6-13-9-17-18(22-11-21-17)10-15(13)16(19)8-12-2-4-14(20)5-3-12/h2-5,9-10,16,20H,6-8,11H2,1H3
InChIKey: VTOOEPLHEDZMBL-UHFFFAOYSA-N
Canonical SMILES: CN1CCC2=CC3=C(C=C2C1CC4=CC=C(C=C4)O)OCO3
Appearance: Prisms from EtOH.[1]
Melting Point: 212-213 C (decomposes); 230-233 C (decomposes), as cinnamolaurine hydrochloride.[1]

Bibliography
1. Dictionary of Alkaloids, Volume 1
Geoffrey A. Cordell, Ian W. Southon, John Buckingham; CRC Press, 1989; ISBN 0412249103, 9780412249105
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