19,20-(E)-Vallesamine

CAS	3368-87-4
Structure
Synonyms	Vallesamine
IUPAC Name	methyl (12S,13S,14E)-14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate
Molecular Weight	340.42
Molecular Formula	C20H24N2O3
Canonical SMILES	C/C=C\1/CN2CC[C@@H]1[C@](C3=C(C2)C4=CC=CC=C4N3)(CO)C(=O)OC
InChI	InChI=1S/C20H24N2O3/c1-3-13-10-22-9-8-16(13)20(12-23,19(24)25-2)18-15(11-22)14-6-4-5-7-17(14)21-18/h3-7,16,21,23H,8-12H2,1-2H3/b13-3-/t16-,20-/m0/s1
InChI Key	JZKSIYFJGCTTET-WBUQUAQWSA-N
Boiling Point	498.0±45.0 °C
Melting Point	162-165 °C
Purity	98%
Density	1.29±0.1 g/ml
Appearance	Solid