40P

Pinnatoxin A


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Chemical Component Summary

NamePinnatoxin A
Identifiersn/a
FormulaC41 H61 N O9
Molecular Weight711.924
TypeNON-POLYMER
Isomeric SMILESC[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C(=O)O
InChIInChI=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
InChIKeyZYFHPTPXLHNGQK-OICTYLSBSA-N

Chemical Details

Formal Charge0
Atom Count112
Chiral Atom Count14
Bond Count119
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 11479587