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Fumonisin B1 Standard Solution

CAT: 0127-BIMS100-01Size: 1 mLDry Ice: NoHazardous: No
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CAT#:0127-BIMS100-01Size:1 mL
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CAS Number
116355-83-0
Synonyms
Macrofusine Standard Solution
MDL Number
MFCD00133349
Smiles
CCCC(C)CC(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CC(O)CCCCC(O)CC(O)C(C)N)OC(=O)CC(CC(=O)O)C(=O)O
Additionnal Information
Store at -20°C
Storage Conditions
Store at -20°C
Notes
Analytical reference standard solution. 50µg/ml in ACN/H2O 1:1 V/V mixture. From Fusarium moniliforme. Carcinogenic mycotoxin. Expires in 12 months.

Chemical Information

Fumonisin B1

Fumonisin B1 can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC) and The National Toxicology Program.

CAS Number116355-83-0
PubChem CID2733487
IUPAC Name(2R)-2-[2-[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
Molecular FormulaC34H59NO15
Molecular Weight721.8
XLogP-0.5
Topological Polar Surface Area289
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count31
Heavy Atom Count50
Formal Charge0
Complexity1070
SMILES
CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](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
InChIKey
UVBUBMSSQKOIBE-DSLOAKGESA-N
Chemical Structure
2D Structure
2D structure of Fumonisin B1
CAS: 116355-83-0
CID: 2733487
Formula: C34H59NO15
MW: 721.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight721.8
XLogP3-0.5
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count31
Exact Mass721.38847018
Monoisotopic Mass721.38847018
Topological Polar Surface Area289 Ų
Heavy Atom Count50
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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