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Substance Name: Pinnatoxin A
RN: 160759-36-4
InChIKey: ZYFHPTPXLHNGQK-PBTOPYJBSA-N

Molecular Formula

  • C41-H61-N-O9

Molecular Weight

  • 711.931
 
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Names and Synonyms

Results Name

  • Pinnatoxin A

Synonyms

  • ( )-Pinnatoxin A
  • Pinnatoxin A

Systematic Names

  • 19H-11,15:15,18:18,22:24,28:24,29-Pentaepoxy-1H-benzo(2,3)cycloheptacos(1,2-b)azepine-31-carboxylic acid, 2,3,4,6,7,8,9,10,11,12,13,14,16,17,20,21,22,23,25,26,27,28,29,29a,32,33-hexacosahydro-14,27-dihydroxy-2,3,14,26-tetramethyl-9-methylene-, (2S,3R,11S,14R,15R,18R,22R,24R,26R,27R,28R,29S,29aS,33aR)-
  • 19H-11,15:15,18:18,22:24,28:24,29-Pentaepoxy-1H-benzo(2,3)cycloheptacos(1,2-b)azepine-31-carboxylic acid, 2,3,4,6,7,8,9,10,11,12,13,14,16,17,20,21,22,23,25,26,27,28,29,29a,32,33-hexacosahydro-14,27-dihydroxy-2,3,14,26-tetramethyl-9-methylene-, (2R*,3R*,11S*,14S*,15R*,18R*,22S*,24R*,26S*,27R*,28S*,29R*,29aR*,33aS*)-

Registry Numbers

CAS Registry Number

  • 160759-36-4

System Generated Number

  • 0160759364

Structure Descriptors

InChI

1S/C41H61NO9/c1-24-8-6-10-32-38(20-25(2)27(4)23-42-32)15-11-28(36(44)45)19-31(38)34-35-33(43)26(3)21-40(49-34,50-35)22-30-9-7-13-39(47-30)16-17-41(51-39)37(5,46)14-12-29(18-24)48-41/h19,25-27,29-31,33-35,43,46H,1,6-18,20-23H2,2-5H3,(H,44,45)/t25-,26+,27-,29-,30+,31+,33+,34-,35-,37+,38?,39?,40?,41?/m0/s1

InChIKey

ZYFHPTPXLHNGQK-PBTOPYJBSA-N

Smiles

O[C@H]1[C@H]2[C@@H]3[C@H]4C=C(CC[C@@]54C(CCCC(C[C@H]4O[C@@]6([C@@](CC4)(O)C)CC[C@@]4(O6)CCC[C@@H](C[C@@](O3)(O2)C[C@H]1C)O4)=C)=NC[C@H](C)[C@H](C)C5)C(O)=O