Pinnatoxin A

CAS Registry Number®

160759-36-4
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CAS Name

Pinnatoxin A

Molecular Formula

C41H61NO9

Molecular Mass

711.92

Cite this Page

Pinnatoxin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=160759-36-4 (retrieved 2024-05-18) (CAS RN: 160759-36-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=ZYFHPTPXLHNGQK-ZIKXXYSLSA-N

SMILES

C[C@H]1C[C@]23[C@@]([C@]4([C@@]5(O[C@@](O4)(C[C@@]6(O[C@@]7(O[C@]8(O[C@](CC(=C)CCCC2=NC[C@@H]1C)(CC[C@@]8(C)O)[H])CC7)CCC6)[H])C[C@@H](C)C5O)[H])[H])(C=C(C(O)=O)CC3)[H]

Canonical SMILES

O=C(O)C1=CC2C3OC4(OC3C(O)C(C)C4)CC5OC6(OC7(OC(CC(=C)CCCC8=NCC(C)C(C)CC82CC1)CCC7(O)C)CC6)CCC5

Other Names for this Substance

  • 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*)-
  • (2S,3R,11S,14R,15R,18R,22R,24R,26R,27R,28R,29S,29aS,33aR)-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-19H-11,15:15,18:18,22:24,28:24,29-pentaepoxy-1H-benzo[2,3]cycloheptacos[1,2-b]azepine-31-carboxylic acid
  • Pinnatoxin A
  • (+)-Pinnatoxin A

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