Schizanthine M

Catalog Number	ACM119736786
CAS Number	119736-78-6
Structure
Synonyms	Butanedioic acid, methylene-, 1-ethyl 4-[(1R,3R,5S,6R)-8-methyl-6-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-8-azabicyclo[3.2.1]oct-3-yl] ester (9CI)
Molecular Weight	379.4
InChI	InChI=1S/C20H29NO6/c1-6-12(3)20(24)27-17-10-14-9-15(11-16(17)21(14)5)26-18(22)8-13(4)19(23)25-7-2/h6,14-17H,4,7-11H2,1-3,5H3/b12-6+/t14,15-,16,17-/m1/s1
InChI Key	WMFMZTXHTPOWMQ-WAMNRYJJSA-N
Purity	95%+
Complexity	640
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	379.19948764
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCOC(=O)C(=C)CC(=O)O[C@@H]1CC2C[C@H](C(C1)N2C)OC(=O)/C(=C/C)/C
Monoisotopic Mass	379.19948764
PhysicalState	Powder
Rotatable Bond Count	10
Topological Polar Surface Area	82.1 Ų

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