(+)-Lappaconitine

Catalog Number	ACM32854754
CAS Number	32854-75-4
Structure
Synonyms	(1a,14a,16b)-20-Ethyl-1,14,16-trimethoxyaconitane-4,8,9-triol 4-(2-acetylamino)benzoate)
Molecular Weight	584.7
InChI	InChI=1S/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20-,22+,23-,24+,25+,26?,27+,29-,30+,31+,32+/m1/s1
InChI Key	NWBWCXBPKTTZNQ-MUVXNFNYSA-N
Melting Point	217-218 °C
Purity	95%+
Complexity	1120
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	11
Exact Mass	584.30976637
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
Isomeric SMILES	CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@]5([C@H]6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C
Monoisotopic Mass	584.30976637
PhysicalState	Powder
Rotatable Bond Count	8
Topological Polar Surface Area	127 Ų

※ Please kindly note that our products are for research use only.