Fumonisin P3

CAS Registry Number®

182063-60-1
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CAS Name

Fumonisin P3

Molecular Formula

C39H62NO15

Cite this Page

Fumonisin P3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=182063-60-1 (retrieved 2024-09-19) (CAS RN: 182063-60-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H61NO15/c1-5-6-12-25(3)37(55-36(49)22-28(39(52)53)20-34(46)47)32(54-35(48)21-27(38(50)51)19-33(44)45)18-24(2)17-29(41)13-9-7-8-10-15-31(43)26(4)40-16-11-14-30(42)23-40/h11,14,16,23-29,31-32,37,41,43H,5-10,12-13,15,17-22H2,1-4H3,(H4-,42,44,45,46,47,50,51,52,53)/p+1/t24-,25+,26-,27+,28+,29+,31-,32-,37+/m0/s1

InChIKey

InChIKey=SJFPAYWMTYRRGT-KQZOLYKISA-O

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+]=1C=C(O)C=CC1)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+]=1C=CC=C(O)C1)C)C(OC(=O)CC(C(=O)O)CC(=O)O)C(C)CCCC

Other Names for this Substance

  • Pyridinium, 1-[(1R,2R,9S,11R,13R,14S,15S)-13,14-bis[(3S)-3,4-dicarboxy-1-oxobutoxy]-2,9-dihydroxy-1,11,15-trimethylnonadecyl]-3-hydroxy-, rel-
  • Pyridinium, 1-[13,14-bis(3,4-dicarboxy-1-oxobutoxy)-2,9-dihydroxy-1,11,15-trimethylnonadecyl]-3-hydroxy-, [1R*,2R*,9S*,11R*,13R*(S*),14S*(S*),15S*]-
  • Fumonisin P3