Chemical Compound

(2S,3S,4S,5R,6R)-6-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1'R,2R,2'S,4'S,5S,7'S,8'R,12'S,13'S,16'S,18'S)-5,7',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-9'-eneoxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}oxane-2,3,4,5-tetrol

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(2S,3S,4S,5R,6R)-6-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1'R,2R,2'S,4'S,5S,7'S,8'R,12'S,13'S,16'S,18'S)-5,7',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-9'-eneoxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}oxane-2,3,4,5-tetrol 结构式
Primary record

(2S,3S,4S,5R,6R)-6-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1'R,2R,2'S,4'S,5S,7'S,8'R,12'S,13'S,16'S,18'S)-5,7',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-9'-eneoxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}oxane-2,3,4,5-tetrol

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101270337
SMILES
C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4C3=CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)OC1
Canonical SMILES
C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3C(=CC[C@H]4[C@H]3CC[C@H]3C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](O)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)CC[C@@]34C)[C@H]1[C@@H]2C

名称与同义词

  • TB-4
  • SCHEMBL29372214
  • J1.983.102G
  • (2S,3S,4S,5R,6R)-6-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1'R,2R,2'S,4'S,5S,7'S,8'R,12'S,13'S,16'S,18'S)-5,7',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-9'-eneoxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}oxane-2,3,4,5-tetrol
  • [(25S)-18-Nor-5alpha-spirosta-12-ene-3beta-yl]4-O-[2-O-beta-D-glucopyranosyl-3-O-(3alpha,4beta,5alpha,6beta-tetrahydroxytetrahydro-2H-pyran-2beta-yl)-beta-D-glucopyranosyl]-beta-D-galactopyranoside