PALYTOXIN

The PTX, with the CAS registry number 77734-91-9, is also known as Palytoxin. PTX is a natural compound that is produced by several marine species and can be found in many more species due to accumulation. This chemical's molecular formula is C₁₂₉H₂₂₃N₃O₅₄ and molecular weight is 2680.14. What's more, its systematic name is (E, 2S, 3R, 5R, 8R, 9S)-10-[(2R, 3R, 4R, 5S, 6R)-6-[(1S, 2R, 3S, 4S, 5R, 11S)-12-[(1R, 3S, 5S, 7R)-5-[(8S)-9-[(2R, 3R, 4R, 5R, 6S)-6-[(E, 2S, 3S, 6S, 9R, 10R)-10-[(2S, 4R, 5S, 6R)-6-[(2R, 3R)-4-[(2R, 3S, 4R, 5R, 6S)-6-[(2S, 3Z, 5E, 8R, 9S, 10R, 12Z, 17S, 18R, 19R, 20R)-21-[(2R, 3R, 4R, 5S, 6R)-6-[(Z, 3R, 4R)-5-[(1S, 3R, 5R, 7R)-7-[2-[(2R, 3R, 5S)-5-(Aminomethyl)-3-hydroxy-tetrahydrofuran-2-yl]ethyl]-2, 6-dioxabicyclo[3.2.1]octan-3-yl]-3, 4-dihydroxy-pent-1-enyl]-3, 4, 5-trihydroxy-tetrahydropyran-2-yl]-2, 8, 9, 10, 17, 18, 19-heptahydroxy-20-methyl-14-methylene-henicosa-3, 5, 12-trienyl]-3, 4, 5-trihydroxy-tetrahydropyran-2-yl]-2, 3-dihydroxy-butyl]-4, 5-dihydroxy-tetrahydropyran-2-yl]-2, 6, 9, 10-tetrahydroxy-3-methyl-dec-4-enyl]-3, 4, 5, 6-tetrahydroxy-tetrahydropyran-2-yl]-8-hydroxy-nonyl]-1, 3-dimethyl-6, 8-dioxabicyclo[3.2.1]octan-7-yl]-1, 2, 3, 4, 5-pentahydroxy-11-methyl-dodecyl]-3, 4, 5-trihydroxy-tetrahydropyran-2-yl]-2, 5, 8, 9-tetrahydroxy-N-[(E)-3-(3-hydroxypropylamino)-3-oxo-prop-1-enyl]-3, 7-dimethyl-dec-6-enamide. In addition, PTX can be produced by Palytoxin carboxylic acid. Besides, it must be stored in airtight containers and placed in a dry, cool place at 2-8 °C. Meanwhile, it should avoid contact with oxidant, light, heat.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is very toxic by inhalation, in contact with skin and if swallowed. And this chemical may cause cancer. In addition, the dust of this chemical can not be breathed. During using it, wear suitable protective clothing and gloves. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1) SMILES: CC1CC2(C(OC(C1)(O2)CCCCCCCC(CC3C(C(C(C(O3)(CC(C(C)C=CC(CCC(C(C4CC(C(C(O4)CC(C(CC5C(C(C(C(O5)CC(C=CC=CCC(C(C(CC=CC(=C)CCC(C(C(C(C)CC6C(C(C(C(O6)C=CC(C(CC7CC8CC(O7)C(O8)CCC9C(CC(O9)CN)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)CC(C)CCCCCC(C(C(C(C(C1C(C(C(C(O1)CC(C(C(=CC(CC(C)C(C(=O)NC=CC(=O)NCCCO)O)O)C)O)O)O)O)O)O)O)O)O)O)C
(2) InChI: InChI=1/C129H223N3O54/c1-62(29-33-81(143)108(158)103(153)68(7)47-93-111(161)117(167)110(160)91(180-93)36-35-76(138)82(144)51-73-50-74-53-92(178-73)90(177-74)38-37-89-85(147)52-75(61-130)179-89)23-20-28-78(140)105(155)77(139)26-18-13-16-25-70(135)48-94-112(162)118(168)113(163)97(181-94)55-84(146)83(145)54-95-107(157)87(149)57-96(182-95)106(156)80(142)34-32-69(134)31-30-65(4)88(150)60-129(176)125(174)123(173)115(165)99(184-129)49-71(136)24-15-10-9-11-19-40-128-59-64(3)58-127(8,186-128)100(185-128)44-63(2)22-14-12-17-27-79(141)109(159)116(166)120(170)122(172)124-121(171)119(169)114(164)98(183-124)56-86(148)102(152)66(5)45-72(137)46-67(6)104(154)126(175)132-42-39-101(151)131-41-21-43-133/h13,16,18,20,23,25,30-31,35-36,39,42,45,63-65,67-100,102-125,133-150,152-174,176H,1,9-12,14-15,17,19,21-22,24,26-29,32-34,37-38,40-41,43-44,46-61,130H2,2-8H3,(H,131,151)(H,132,175)/b18-13+,23-20-,25-16-,31-30+,36-35-,42-39+,66-45+/t63-,64-,65-,67+,68+,69+,70+,71-,72-,73-,74+,75-,76+,77+,78+,79+,80+,81-,82+,83+,84+,85+,86-,87+,88-,89+,90+,91+,92-,93+,94-,95+,96-,97+,98+,99+,100+,102+,103+,104-,105-,106+,107-,108+,109-,110+,111-,112-,113+,114-,115-,116-,117-,118+,119+,120+,121-,122-,123+,124-,125+,127+,128-,129-/m0/s1
(3) InChIKey: CWODDUGJZSCNGB-HQNRRURTBU