Wilfordine

Catalog Number	ACM37239513-1
CAS Number	37239-51-3
Structure
Synonyms	8α-Acetoxy-2-benzoyloxy-2-de(acetoxy)-8-deoxo-26-hydroxyevonimine
IUPAC Name	[20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-15,26-dihydroxy-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	883.84
Molecular Formula	C43H49NO19
Canonical SMILES	CC(OC[C@@]([C@H]1OC(C)=O)([C@H]2OC(C)=O)[C@@]([C@](O)([C@@H](OC(C(O)(CCC3=NC=CC=C43)C)=O)[C@@H]1OC(C5=CC=CC=C5)=O)C)(O[C@]6(COC4=O)C)C(C6[C@H]2OC(C)=O)OC(C)=O)=O
InChI	InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(58-23(3)47)43(42)41(8,54)33(31(35(42)60-25(5)49)61-36(50)26-13-10-9-11-14-26)62-38(52)39(6,53)17-16-28-27(15-12-18-44-28)37(51)56-19-40(29,7)63-43/h9-15,18,29-35,53-54H,16-17,19-20H2,1-8H3
InChI Key	XQDBHSNYTFRCNJ-UHFFFAOYSA-N
Boiling Point	895.5±65.0 °C
Melting Point	175-176 °C
Purity	98%
Density	1.44±0.1 g/ml
Appearance	White powder
Complexity	1850
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	883.28987833
Heavy Atom Count	63
Hydrogen Bond Acceptor Count	20
Hydrogen Bond Donor Count	2
Monoisotopic Mass	883.28987833
PhysicalState	Powder
Rotatable Bond Count	14
Topological Polar Surface Area	273 Ų

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