(E,3S,5S,8S,9R)-10-[(2R,3R,4R,5S,6R)-6-[(1R,2S,3R,4R,5S,11R)-12-[(1S,3R,5S,7R)-5-[(8R)-9-[(2R,3R,4R,5R,6S)-6-[(E,2R,3R,6R,9S,10S)-10-[(2S,4R,5S,6R)-6-[(2R,3R)-4-[(2S,3R,4S,5S,6R)-6-[(2R,3Z,5E,8S,9R,10S,12Z,17R,18S,19S,20S)-21-[(2S,3S,4S,5R,6S)-6-[(Z,3S,4S)-5-[(1R,3S,5R,6R)-6-[2-[(2R,3R,5S)-5-(aminomethyl)-3-hydroxy-tetrahydrofuran-2-yl]ethyl]-4,7-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

More details:

• Systematic name

  (E,3S,5S,8S,9R)-10-[(2R,3R,4R,5S,6R)-6-[(1R,2S,3R,4R,5S,11R)-12-[(1S,3R,5S,7R)-5-[(8R)-9-[(2R,3R,4R,5R,6S)-6-[(E,2R,3R,6R,9S,10S)-10-[(2S,4R,5S,6R)-6-[(2R,3R)-4-[(2S,3R,4S,5S,6R)-6-[(2R,3Z,5E,8S,9R,10S,12Z,17R,18S,19S,20S)-21-[(2S,3S,4S,5R,6S)-6-[(Z,3S,4S)-5-[(1R,3S,5R,6R)-6-[2-[(2R,3R,5S)-5-(aminomethyl)-3-hydroxy-tetrahydrofuran-2-yl]ethyl]-4,7-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

• SMILES

  C[C@@H]1C[C@]2([C@H](O[C@](C1)(O2)CCCCCCC[C@H](C[C@@H]3[C@@H]([C@H]([C@H]([C@@](O3)(C[C@H]([C@H](C)/C=C/[C@@H](CC[C@@H]([C@@H]([C@@H]4C[C@H]([C@@H]([C@H](O4)C[C@H]([C@@H](C[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C[C@H](/C=C\C=C\C[C@@H]([C@H]([C@H](C/C=C\C(=C)CC[C@H]([C@@H]([C@H]([C@@H](C)C[C@H]6[C@H]([C@@H]([C@H]([C@@H](O6)/C=C\[C@@H]([C@H](C[C@H]7C[C@@H]8C[C@@H](O7)[C@H](O8)CC[C@@H]9[C@@H](C[C@H](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)C[C@H](C)CCCCC[C@@H]([C@H]([C@H]([C@@H]([C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C[C@H]([C@H](/C(=C/[C@H](C[C@H](C)C(C(=O)N/C=C/C(=O)NCCCO)O)O)/C)O)O)O)O)O)O)O)O)O)O)C

• Std. InChi

  InChI=1S/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+/m1/s1

• Std. InChIKey

  CWODDUGJZSCNGB-VWKFAQNMSA-N

• Cite this record

  CSID:68027372, http://www.chemspider.com/Chemical-Structure.68027372.html (accessed 06:31, Apr 25, 2024)