Fumonisin P1

CAS Registry Number®

182063-58-7
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CAS Name

Fumonisin P1

Molecular Formula

C39H62NO16

Cite this Page

Fumonisin P1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=182063-58-7 (retrieved 2024-09-21) (CAS RN: 182063-58-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H61NO16/c1-5-6-10-24(3)37(56-36(50)20-27(39(53)54)18-34(47)48)32(55-35(49)19-26(38(51)52)17-33(45)46)16-23(2)15-28(41)11-7-8-12-29(42)21-31(44)25(4)40-14-9-13-30(43)22-40/h9,13-14,22-29,31-32,37,41-42,44H,5-8,10-12,15-21H2,1-4H3,(H4-,43,45,46,47,48,51,52,53,54)/p+1/t23-,24+,25-,26+,27+,28+,29+,31-,32-,37+/m0/s1

InChIKey

InChIKey=PUBXIIADYBXHSN-KVTANASDSA-O

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+]=1C=C(O)C=CC1)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+]=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,4S,9S,11R,13R,14S,15S)-13,14-bis[(3S)-3,4-dicarboxy-1-oxobutoxy]-2,4,9-trihydroxy-1,11,15-trimethylnonadecyl]-3-hydroxy-, rel-
  • Pyridinium, 1-[13,14-bis(3,4-dicarboxy-1-oxobutoxy)-2,4,9-trihydroxy-1,11,15-trimethylnonadecyl]-3-hydroxy-, [1R*,2R*,4S*,9S*,11R*,13R*(S*),14S*(S*),15S*]-
  • rel-1-[(1R,2R,4S,9S,11R,13R,14S,15S)-13,14-Bis[(3S)-3,4-dicarboxy-1-oxobutoxy]-2,4,9-trihydroxy-1,11,15-trimethylnonadecyl]-3-hydroxypyridinium
  • Fumonisin P1