Chemical Compound

(3E,5E,7S,8S,11E,13E,15S,16S)-16-[(1S,2R,3S)-2-Hydroxy-3-[(2R,3R,4R,6R)-3-ethyl-4-[[(2S,3S,4S,6R)-3,4-dihydroxy-2-methyltetrahydro-2H-pyran-6-yl]oxy]-6-hydroxy-2-methyltetrahydro-2H-pyran-6-yl]-1-methylbutyl]-8-[(1S,2R,3S)-2-hydroxy-1,3-dimethyl-4-oxo-4-[[(2R,3S,4R,5R)-4-ethyl-5-methyl-3-[[(2S,3S,4S,6S)-3,4-dihydroxy-2-methyltetrahydro-2H-pyran-6-yl]oxy]tetrahydrofuran-2-yl]oxy]butyl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetrene-2,10-dione

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(3E,5E,7S,8S,11E,13E,15S,16S)-16-[(1S,2R,3S)-2-Hydroxy-3-[(2R,3R,4R,6R)-3-ethyl-4-[[(2S,3S,4S,6R)-3,4-dihydroxy-2-methyltetrahydro-2H-pyran-6-yl]oxy]-6-hydroxy-2-methyltetrahydro-2H-pyran-6-yl]-1-methylbutyl]-8-[(1S,2R,3S)-2-hydroxy-1,3-dimethyl-4-oxo-4-[[(2R,3S,4R,5R)-4-ethyl-5-methyl-3-[[(2S,3S,4S,6S)-3,4-dihydroxy-2-methyltetrahydro-2H-pyran-6-yl]oxy]tetrahydrofuran-2-yl]oxy]butyl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetrene-2,10-dione 结构式
Primary record

(3E,5E,7S,8S,11E,13E,15S,16S)-16-[(1S,2R,3S)-2-Hydroxy-3-[(2R,3R,4R,6R)-3-ethyl-4-[[(2S,3S,4S,6R)-3,4-dihydroxy-2-methyltetrahydro-2H-pyran-6-yl]oxy]-6-hydroxy-2-methyltetrahydro-2H-pyran-6-yl]-1-methylbutyl]-8-[(1S,2R,3S)-2-hydroxy-1,3-dimethyl-4-oxo-4-[[(2R,3S,4R,5R)-4-ethyl-5-methyl-3-[[(2S,3S,4S,6S)-3,4-dihydroxy-2-methyltetrahydro-2H-pyran-6-yl]oxy]tetrahydrofuran-2-yl]oxy]butyl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetrene-2,10-dione

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177574699
SMILES
CC[C@@H]1[C@H](O[C@@H]([C@H]1O[C@H]2C[C@@H]([C@@H]([C@@H](O2)C)O)O)OC(=O)[C@@H](C)[C@@H]([C@H](C)[C@@H]3[C@H](/C=C/C=C/C(=O)O[C@@H]([C@H](/C=C/C=C/C(=O)O3)C)[C@@H](C)[C@H]([C@H](C)[C@]4(C[C@H]([C@@H]([C@H](O4)C)CC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)O)O)O)C)O)C
Canonical SMILES
CC[C@@H]1[C@@H](C)O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)C(=O)O[C@H]3O[C@H](C)[C@@H](CC)[C@@H]3O[C@H]3C[C@H](O)[C@H](O)[C@H](C)O3)OC(=O)/C=C/C=C/[C@@H]2C)C[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1

名称与同义词

  • Halichoblelide A
  • J1.679.053B
  • (2R,3S,4R,5R)-3-{[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-5-methyloxolan-2-yl (2S,3R,4S)-4-[(2S,3S,4E,6E,10S,11S,12E,14E)-10-[(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-{[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-ethyl-2-hydroxy-6-methyloxan-2-yl]-3-hydroxypentan-2-yl]-3,11-dimethyl-8,16-dioxo-1,9-dioxacyclohexadeca-4,6,12,14-tetraen-2-yl]-3-hydroxy-2-methylpentanoate
  • (3E,5E,7S,8S,11E,13E,15S,16S)-16-[(1S,2R,3S)-2-Hydroxy-3-[(2R,3R,4R,6R)-3-ethyl-4-[[(2S,3S,4S,6R)-3,4-dihydroxy-2-methyltetrahydro-2H-pyran-6-yl]oxy]-6-hydroxy-2-methyltetrahydro-2H-pyran-6-yl]-1-methylbutyl]-8-[(1S,2R,3S)-2-hydroxy-1,3-dimethyl-4-oxo-4-[[(2R,3S,4R,5R)-4-ethyl-5-methyl-3-[[(2S,3S,4S,6S)-3,4-dihydroxy-2-methyltetrahydro-2H-pyran-6-yl]oxy]tetrahydrofuran-2-yl]oxy]butyl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetrene-2,10-dione