WILFORDININE-A;1-BETA,5-ALPHA,7-BETA,8-BETA,11-PENTA-ACETOXY-2-BETA,4-ALPHA-HYDROXY-3-ALPHA,15-[2',3'-DIMETHYL-3'-(3''-CARBOXY-4''-PYRIDYL)-PROPAN

SpectraBase Compound ID	CjkOS3bPn3F
InChI	InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-28-25(43)29(51-20(6)41)35(14-47-17(3)38)30(52-21(7)42)26(49-18(4)39)24-27(50-19(5)40)36(35,34(28,9)46)54-33(24,8)13-48-32(45)23-12-37-11-10-22(15)23/h10-12,15-16,24-30,43,46H,13-14H2,1-9H3/t15?,16?,24-,25+,26-,27-,28+,29+,30-,33+,34+,35+,36+/m1/s1
InChIKey	NZJBHDRNBSDTHF-FNSNBEEHSA-N Google Search
Mol Weight	763.7 g/mol
Molecular Formula	C36H45NO17
Exact Mass	763.268749 g/mol

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SpectraBase Spectrum ID	aaWTO5FZ2u
Name	Wilfordinine A
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C36H45NO17
InChI	InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-28-25(43)29(51-20(6)41)35(14-47-17(3)38)30(52-21(7)42)26(49-18(4)39)24-27(50-19(5)40)36(35,34(28,9)46)54-33(24,8)13-48-32(45)23-12-37-11-10-22(15)23/h10-12,15-16,24-30,43,46H,13-14H2,1-9H3/t15?,16?,24-,25+,26-,27-,28+,29+,30-,33+,34+,35+,36+/m1/s1
InChIKey	NZJBHDRNBSDTHF-FNSNBEEHSA-N
Molecular Weight	763.746 g/mol
SMILES	O[C@]1([C@@]2([C@@]([C@@]([C@@]3([C@]11[C@@]([C@]([C@]([C@]3(OC(=O)C)[H])(OC(=O)C)[H])([H])[C@@](O1)(COC(c1c(ccnc1)C(C(C(O2)=O)C)C)=O)C)(OC(=O)C)[H])COC(=O)C)(OC(=O)C)[H])(O)[H])[H])C
SPLASH	splash10-0a4i-1920000200-701536d0648702139e36
Source of Spectrum	G4-63-361-3
Wiley ID	1608305