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Fumonisin B1-[13C34]

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General Information
Catalog: BLP-005514
CAS: 1217458-62-2
Molecular Formula: [13C]34H59NO15
Molecular Weight: 755.58

Chemical Structure

Description	Fumonisin B1-[13C34] is the labelled analogue of Fumonisin B1. Fumonisin B1 is a mycotoxin derived from Fusarium and their Liseola section.
Synonyms	Fumonisin B1-13C34
IUPAC Name	(2R)-2-[2-[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-6-[(3R)-3,4-bis(hydroxycarbonyl)(1,2,3,4-13C4)butanoyl]oxy-11,16,18-trihydroxy-5,9-di((1-13C)methyl)(1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-13C20)icosan-7-yl]oxy-2-oxo(1,2-13C2)ethyl](1,2,3,4-13C4)butanedioic acid
Related CAS	116355-83-0 (unlabelled)
Isomeric SMILES	[13CH3][13CH2][13CH2][13CH2][13C@@H]([13CH3])[13C@H]([13C@H]([13CH2][13C@@H]([13CH3])[13CH2][13C@@H]([13CH2][13CH2][13CH2][13CH2][13C@H]([13CH2][13C@@H]([13C@H]([13CH3])N)O)O)O)O[13C](=O)[13CH2][13C@@H]([13CH2][13C](=O)O)[13C](=O)O)O[13C](=O)[13CH2][13C@@H]([13CH2][13C](=O)O)[13C](=O)O
Canonical SMILES	CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O
InChI	InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1,18+1,19+1,20+1,21+1,22+1,23+1,24+1,25+1,26+1,27+1,28+1,29+1,30+1,31+1,32+1,33+1,34+1
InChI Key	UVBUBMSSQKOIBE-HTPIOKJKSA-N
Density	1.3±0.1 g/cm3
Storage	Store at -20°C