Chemical Compound

[(2R,3aalpha,3 aalpha,7abeta,7 abeta)-7alpha-(2-Methoxyethoxy)-7 beta-(2,4-dihydroxy-6-methylbenzoyloxy)octahydro-2,4 -spirobi[4H-1,3-dioxolo[4,5-c]pyran]-6beta-yl]2-O,6-O-dimethyl-4-O-[4-O-methyl-3-O-[(2R,3abeta)-4beta,6 beta,7aalpha-trimethyl-4 beta,7beta-dihydroxy-5 alpha-[3-O-(3-C,4-O-dimethyl-3-nitro-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)-4-O-(2-methoxy-3,5-dichloro-4-hydroxy-6-methylbenzoyl)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]octahydrospiro[4H-1,3-dioxolo[4,5-c]pyran-2,2 -[2H]pyran]-6beta-yl]-beta-D-fucopyranosyl]-beta-D-mannopyranoside

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[(2R,3aalpha,3 aalpha,7abeta,7 abeta)-7alpha-(2-Methoxyethoxy)-7 beta-(2,4-dihydroxy-6-methylbenzoyloxy)octahydro-2,4 -spirobi[4H-1,3-dioxolo[4,5-c]pyran]-6beta-yl]2-O,6-O-dimethyl-4-O-[4-O-methyl-3-O-[(2R,3abeta)-4beta,6 beta,7aalpha-trimethyl-4 beta,7beta-dihydroxy-5 alpha-[3-O-(3-C,4-O-dimethyl-3-nitro-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)-4-O-(2-methoxy-3,5-dichloro-4-hydroxy-6-methylbenzoyl)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]octahydrospiro[4H-1,3-dioxolo[4,5-c]pyran-2,2 -[2H]pyran]-6beta-yl]-beta-D-fucopyranosyl]-beta-D-mannopyranoside 结构式
Primary record

[(2R,3aalpha,3 aalpha,7abeta,7 abeta)-7alpha-(2-Methoxyethoxy)-7 beta-(2,4-dihydroxy-6-methylbenzoyloxy)octahydro-2,4 -spirobi[4H-1,3-dioxolo[4,5-c]pyran]-6beta-yl]2-O,6-O-dimethyl-4-O-[4-O-methyl-3-O-[(2R,3abeta)-4beta,6 beta,7aalpha-trimethyl-4 beta,7beta-dihydroxy-5 alpha-[3-O-(3-C,4-O-dimethyl-3-nitro-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)-4-O-(2-methoxy-3,5-dichloro-4-hydroxy-6-methylbenzoyl)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]octahydrospiro[4H-1,3-dioxolo[4,5-c]pyran-2,2 -[2H]pyran]-6beta-yl]-beta-D-fucopyranosyl]-beta-D-mannopyranoside

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
100961729
SMILES
C[C@@H]1[C@H]([C@@H](C[C@@]2(O1)O[C@@H]3[C@H](O[C@H]([C@H]([C@]3(O2)C)O)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4OC)C)O[C@@H]5[C@H](O[C@H]([C@H]([C@H]5O)OC)O[C@H]6[C@@H]([C@H]7[C@H](CO6)O[C@@]8(O7)[C@H]9[C@H]([C@@H](CO8)OC(=O)C1=C(C=C(C=C1C)O)O)OCO9)OCCOC)COC)O)C)O)[C@H]1C[C@H]([C@@H]([C@H](O1)C)OC(=O)C1=C(C(=C(C(=C1OC)Cl)O)Cl)C)O[C@H]1C[C@@]([C@H]([C@@H](O1)C)OC)(C)[N+](=O)[O-]
Canonical SMILES
COCCO[C@H]1[C@H](O[C@@H]2O[C@H](COC)[C@@H](O[C@@H]3O[C@H](C)[C@H](OC)[C@H](O[C@@H]4O[C@H](C)[C@H]5O[C@]6(C[C@@H](O)[C@H]([C@H]7C[C@@H](O[C@H]8C[C@@](C)([N+](=O)[O-])[C@@H](OC)[C@H](C)O8)[C@H](OC(=O)c8c(C)c(Cl)c(O)c(Cl)c8OC)[C@@H](C)O7)[C@@H](C)O6)O[C@]5(C)[C@@H]4O)[C@H]3O)[C@H](O)[C@@H]2OC)OC[C@@H]2O[C@@]3(OC[C@@H](OC(=O)c4c(C)cc(O)cc4O)[C@@H]4OCO[C@H]43)O[C@@H]12

名称与同义词

  • J1.096.884D
  • (2R,3R,4R,6R)-6-[(2R,3aR,4R,4'R,5'S,6S,6'R,7S,7aR)-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,7R,7'R,7aR,7'aS)-7'-(2,4-dihydroxy-6-methylbenzoyloxy)-7-(2-methoxyethoxy)-octahydro-2'H,3aH-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]oxy]-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy}-4',7-dihydroxy-4,6',7a-trimethyl-tetrahydro-3aH-spiro[[1,3]dioxolo[4,5-c]pyran-2,2'-oxan]-5'-yl]-4-{[(2S,4R,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy}-2-methyloxan-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
  • [(2R,3aalpha,3 aalpha,7abeta,7 abeta)-7alpha-(2-Methoxyethoxy)-7 beta-(2,4-dihydroxy-6-methylbenzoyloxy)octahydro-2,4 -spirobi[4H-1,3-dioxolo[4,5-c]pyran]-6beta-yl]2-O,6-O-dimethyl-4-O-[4-O-methyl-3-O-[(2R,3abeta)-4beta,6 beta,7aalpha-trimethyl-4 beta,7beta-dihydroxy-5 alpha-[3-O-(3-C,4-O-dimethyl-3-nitro-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)-4-O-(2-methoxy-3,5-dichloro-4-hydroxy-6-methylbenzoyl)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]octahydrospiro[4H-1,3-dioxolo[4,5-c]pyran-2,2 -[2H]pyran]-6beta-yl]-beta-D-fucopyranosyl]-beta-D-mannopyranoside