Chemical Compound

2-[(E)-Chloromethylene]-3alpha,8-[1-oxa-2-oxo-3,10-dimethyl-12-hydroxy-12-[(2-hydroxybenzoyloxy)methyl]dodecane-1,12-diyl]-3aalpha,4alpha,8beta-trihydroxy-5-(hydroxymethyl)-10beta-methyl-5beta,6beta-epoxy-7beta,9beta,10abeta-[(phenylmethanetriyl)trisoxy]-2,3,3a,4,5,6,6aalpha,7,8,9,10,10a-dodecahydrobenzo[e]azulene

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2-[(E)-Chloromethylene]-3alpha,8-[1-oxa-2-oxo-3,10-dimethyl-12-hydroxy-12-[(2-hydroxybenzoyloxy)methyl]dodecane-1,12-diyl]-3aalpha,4alpha,8beta-trihydroxy-5-(hydroxymethyl)-10beta-methyl-5beta,6beta-epoxy-7beta,9beta,10abeta-[(phenylmethanetriyl)trisoxy]-2,3,3a,4,5,6,6aalpha,7,8,9,10,10a-dodecahydrobenzo[e]azulene 结构式
Primary record

2-[(E)-Chloromethylene]-3alpha,8-[1-oxa-2-oxo-3,10-dimethyl-12-hydroxy-12-[(2-hydroxybenzoyloxy)methyl]dodecane-1,12-diyl]-3aalpha,4alpha,8beta-trihydroxy-5-(hydroxymethyl)-10beta-methyl-5beta,6beta-epoxy-7beta,9beta,10abeta-[(phenylmethanetriyl)trisoxy]-2,3,3a,4,5,6,6aalpha,7,8,9,10,10a-dodecahydrobenzo[e]azulene

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177526367
SMILES
C[C@@H]1[C@H]2[C@]3([C@H]4[C@H]5[C@]1(C6=C/C(=C\Cl)/[C@@H]([C@]6([C@@H]([C@@]7([C@H]5O7)CO)O)O)OC(=O)C(CCCCCCC(CC3(COC(=O)C8=CC=CC=C8O)O)C)C)OC(O2)(O4)C9=CC=CC=C9)O
Canonical SMILES
CC1CCCCCCC(C)C(=O)O[C@H]2/C(=C/Cl)C=C3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(c6ccccc6)O[C@@H]([C@@H](C)[C@]32O5)[C@]4(O)C(O)(COC(=O)c2ccccc2O)C1

名称与同义词

  • Trigocherriolide A
  • J3.131.196I
  • [(1R,2S,3S,5R,6S,7S,10E,11S,24S,25R,29S,30R)-10-(chloromethylidene)-6,7,23,24-tetrahydroxy-5-(hydroxymethyl)-14,21,30-trimethyl-13-oxo-27-phenyl-4,12,26,28,31-pentaoxaheptacyclo[25.3.1.01,8.02,25.03,5.07,11.024,29]hentriacont-8-en-23-yl]methyl 2-hydroxybenzoate
  • 2-[(E)-Chloromethylene]-3alpha,8-[1-oxa-2-oxo-3,10-dimethyl-12-hydroxy-12-[(2-hydroxybenzoyloxy)methyl]dodecane-1,12-diyl]-3aalpha,4alpha,8beta-trihydroxy-5-(hydroxymethyl)-10beta-methyl-5beta,6beta-epoxy-7beta,9beta,10abeta-[(phenylmethanetriyl)trisoxy]-2,3,3a,4,5,6,6aalpha,7,8,9,10,10a-dodecahydrobenzo[e]azulene