Chemical Compound

(3Z,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-18-[(1S,2S,3S)-3-[(2R,4R,5S,6R)-4-[(2S,4S,5R,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-methyl-6-[(E)-prop-1-enyl]tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-9-ethyl-8,10-dihydroxy-3,17-dimethoxy-5,7,11,13-tetramethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one

(3Z,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-18-[(1S,2S,3S)-3-[(2R,4R,5S,6R)-4-[(2S,4S,5R,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-methyl-6-[(E)-prop-1-enyl]tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-9-ethyl-8,10-dihydroxy-3,17-dimethoxy-5,7,11,13-tetramethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one 结构式
Primary record

(3Z,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-18-[(1S,2S,3S)-3-[(2R,4R,5S,6R)-4-[(2S,4S,5R,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-methyl-6-[(E)-prop-1-enyl]tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-9-ethyl-8,10-dihydroxy-3,17-dimethoxy-5,7,11,13-tetramethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
170855512
SMILES
CC[C@H]1[C@H]([C@@H](C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@H]2C[C@H]([C@@H]([C@H](O2)/C=C/C)C)O[C@@H]3C[C@@H]([C@H]([C@@H](O3)C)O)O)O)OC)/C)C)O
Canonical SMILES
C/C=C/[C@H]1O[C@@H]([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@@H]2OC)C[C@@H](O[C@@H]2C[C@H](O)[C@@H](O)[C@H](C)O2)[C@@H]1C

名称与同义词

  • 21-deoxy CMC
  • 21-deoxy concanamycin C
  • SCHEMBL27111806
  • (3Z,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-18-[(1S,2S,3S)-3-[(2R,4R,5S,6R)-4-[(2S,4S,5R,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-methyl-6-[(E)-prop-1-enyl]tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-9-ethyl-8,10-dihydroxy-3,17-dimethoxy-5,7,11,13-tetramethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one