Fumonisin B1

CAS Registry Number®

116355-83-0
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CAS Name

Fumonisin B1

Molecular Formula

C34H59NO15

Molecular Mass

721.83

Cite this Page

Fumonisin B1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=116355-83-0 (retrieved 2024-07-14) (CAS RN: 116355-83-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey=UVBUBMSSQKOIBE-DSLOAKGESA-N

SMILES

[C@@H]([C@@H](OC(C[C@@H](CC(O)=O)C(O)=O)=O)C[C@H](C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)C)(OC(C[C@@H](CC(O)=O)C(O)=O)=O)[C@@H](CCCC)C

Canonical SMILES

O=C(O)CC(C(=O)O)CC(=O)OC(CC(C)CC(O)CCCCC(O)CC(O)C(N)C)C(OC(=O)CC(C(=O)O)CC(=O)O)C(C)CCCC

Other Names for this Substance

  • 1,2,3-Propanetricarboxylic acid, 1,1′-[(1S,2R)-1-[(2S,4R,9R,11S,12S)-12-amino-4,9,11-trihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl] ester, (2R,2′R)-
  • 1,2,3-Propanetricarboxylic acid, 1,1′-[1-(12-amino-4,9,11-trihydroxy-2-methyltridecyl)-2-(1-methylpentyl)-1,2-ethanediyl] ester, [2S-[1[1R*(S*),2S*(S*),2(S*)],2R*,4S*,9S*,11R*,12R*]]-
  • Fumonisin B1