Chemical Compound

(1S,8S,10S,17S,18S,19R,21S)-17-(5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl)oxy-8-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-19-(dimethoxymethyl)-10,13-dihydroxy-6-methoxy-3-methylspiro[16,20,22-trioxahexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosa-2(15),3,5(14),6,12-pentaene-18,2'-oxirane]-11-one

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(1S,8S,10S,17S,18S,19R,21S)-17-(5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl)oxy-8-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-19-(dimethoxymethyl)-10,13-dihydroxy-6-methoxy-3-methylspiro[16,20,22-trioxahexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosa-2(15),3,5(14),6,12-pentaene-18,2'-oxirane]-11-one 结构式
Primary record

(1S,8S,10S,17S,18S,19R,21S)-17-(5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl)oxy-8-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-19-(dimethoxymethyl)-10,13-dihydroxy-6-methoxy-3-methylspiro[16,20,22-trioxahexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosa-2(15),3,5(14),6,12-pentaene-18,2'-oxirane]-11-one

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
139584086
SMILES
CC1C(C(CC(O1)O[C@H]2C[C@@H](C(=O)C3=C(C4=C(C=C(C5=C4O[C@@]6([C@@H]7[C@H]5O[C@]([C@]68CO8)(O7)C(OC)OC)OC9CC(C(C(O9)C)(C(=O)C)O)O)C)C(=C23)OC)O)O)(C)O)O
Canonical SMILES
COc1c2c(c(O)c3c4c(c(C)cc13)[C@@H]1O[C@@]3(C(OC)OC)O[C@@H]1[C@@](OC1CC(O)C(O)(C(C)=O)C(C)O1)(O4)[C@@]31CO1)C(=O)[C@@H](O)C[C@@H]2OC1CC(C)(O)C(O)C(C)O1

名称与同义词

  • Trioxacarcin D
  • CHEBI:200634
  • (1S,8S,10S,17S,18S,19R,21S)-17-(5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl)oxy-8-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-19-(dimethoxymethyl)-10,13-dihydroxy-6-methoxy-3-methylspiro[16,20,22-trioxahexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosa-2(15),3,5(14),6,12-pentaene-18,2'-oxirane]-11-one