Fumonisin B3

CAS Registry Number®

1422359-85-0

CAS Name

Fumonisin B3

Molecular Formula

C34H59NO14

Molecular Mass

705.83

Cite this Page

Fumonisin B3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1422359-85-0 (retrieved 2024-11-22) (CAS RN: 1422359-85-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H59NO14/c1-5-6-11-21(3)32(49-31(43)19-24(34(46)47)17-29(40)41)27(48-30(42)18-23(33(44)45)16-28(38)39)15-20(2)14-25(36)12-9-7-8-10-13-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23+,24+,25+,26-,27-,32+/m0/s1

InChIKey

InChIKey=CPCRJSQNWHCGOP-STOIETHLSA-N

SMILES

[C@@H]([C@@H](OC(C[C@@H](CC(O)=O)C(O)=O)=O)C[C@H](C[C@@H](CCCCCC[C@@H]([C@H](C)N)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)CCCCCCC(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,11S,12S)-12-amino-4,11-dihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl] ester, (2R,2′R)-
  • Fumonisin B3
  • FB3

Deleted or Replaced CAS Registry Numbers

136379-59-4

CAS INSIGHTSTM
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