Wilforine

Catalog	BBC11088098
CAS	11088-09-8
Structure
Synonyms	(8α)-8-(Acetyloxy)-2-O-benzoyl-2-O-deacetyl-8-deoxoevonimine
IUPAC Name	[20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate
Molecular Weight	867.85
Molecular Formula	C43H49NO18
Canonical SMILES	CC1CCC2=C(C=CC=N2)C(=O)OCC3(C4C(C(C5(C(C(C(C(C5(C4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C6=CC=CC=C6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C
InChI	InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(60-38(51)27-13-10-9-11-14-27)34(61-37(21)50)41(8,53)43(42,62-40)33(30)57-24(4)47/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3
InChI Key	ZOCKGJZEUVPPPI-UHFFFAOYSA-N
Boiling Point	871.5±65.0 °C
Melting Point	158-163 °C
Purity	98%
Density	1.41 g/ml
Appearance	Powder
pKa	11.70±0.70