Chem
J-GLOBAL ID：200907010563559964   Nikkaji number：J1.058.783B

Pinnatoxin A

ピンナトキシンA
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C41H61NO9
Molecular formula furigana： C41-H61-N-O9
Molecular weight： 711.937
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
InChI key： ZYFHPTPXLHNGQK-OICTYLSBSA-N
SMILES： C[C@@H]1C[C@@]23C[C@H]4CCC[C@@]5(CC[C@]6(O5)O[C@@H](CC[C@@]6(C)O)CC(=C)CCCC5=NC[C@H](C)[C@@H](C)C[C@]65CCC(=C[C@@H]6[C@H](O2)[C@H](O3)[C@@H]1O)C(=O)O)O4
Systematic name  (3)：
  • (2S,3R,11S,14R,15R,18R,22R,24R,26R,27R,28R,29S,29aS,33aR)-2,3,4,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,29a,32,33-トリアコンタヒドロ-14,27-ジヒドロキシ-2,3,14,26-テトラメチル-9-メチレン-11,15:15,18:18,22:24,28:24,29-ペンタエポキシ-1H-ベンゾ[2,3]シクロヘプタコサ[1,2-b]アゼピン-31-カルボン酸
  • (1R,3R,7R,10R,11R,14S,23R,24S,26R,31S,32S,33R,34R,35R)-11,34-ジヒドロキシ-11,23,24,35-テトラメチル-16-メチリデン-37,38,39,40,41-ペンタオキサ-21-アザオクタシクロ[30.4.1.11,33.13,7.17,10.110,14.020,26.026,31]ヘンテトラコンタ-20,29-ジエン-29-カルボン酸
  • (1R,3R,7R,10R,11R,14S,23R,24S,26R,31S,32S,33R,34R,35R)-11,34-dihydroxy-11,23,24,35-tetramethyl-16-methylidene-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26.026,31]hentetraconta-20,29-diene-29-carboxylic acid
Other name (7)：
  • (2S,3R,11S,14R,15R,18R,22R,24R,26R,27R,28R,29S,29aS,33aR)-2,3,4,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,29a,32,33-Triacontahydro-14,27-dihydroxy-2,3,14,26-tetramethyl-9-methylene-11,15:15,18:18,22:24,28:24,29-pentaepoxy-1H-benzo[2,3]cycloheptacosa[1,2-b]azepine-31-carboxylic acid
  • ピンナトキシンA
  • Pinnatoxin A
  • ピナトキシンA
  • (+)-ピナトキシンA
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CAS registry number： 160759-36-4
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