Chemical Compound

[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl] (1R,3R,5R,6S,7S,8R,10S,13S,14S,15R,19S,24R,25R,28R,29S,32S,37S,41R,42R,44S)-6,7,13,14,19,44-hexahydroxy-5-(hydroxymethyl)-19,24,28,29,35,35,42-heptamethyl-17,21-dioxo-2,4,9,11,16,22-hexaoxaoctacyclo[22.20.0.03,8.010,15.025,42.028,41.029,38.032,37]tetratetracont-38-ene-32-carboxylate

CAS Registry Number 102040-03-9
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[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl] (1R,3R,5R,6S,7S,8R,10S,13S,14S,15R,19S,24R,25R,28R,29S,32S,37S,41R,42R,44S)-6,7,13,14,19,44-hexahydroxy-5-(hydroxymethyl)-19,24,28,29,35,35,42-heptamethyl-17,21-dioxo-2,4,9,11,16,22-hexaoxaoctacyclo[22.20.0.03,8.010,15.025,42.028,41.029,38.032,37]tetratetracont-38-ene-32-carboxylate 结构式
Primary record

[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl] (1R,3R,5R,6S,7S,8R,10S,13S,14S,15R,19S,24R,25R,28R,29S,32S,37S,41R,42R,44S)-6,7,13,14,19,44-hexahydroxy-5-(hydroxymethyl)-19,24,28,29,35,35,42-heptamethyl-17,21-dioxo-2,4,9,11,16,22-hexaoxaoctacyclo[22.20.0.03,8.010,15.025,42.028,41.029,38.032,37]tetratetracont-38-ene-32-carboxylate

库存
1,604 克
纯度
98.2 %
CAS
102040-03-9

化合物标识与属性

CAS
102040-03-9
PubChem CID
131675290
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@@]34CC[C@@]5(C(=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(C[C@@H]([C@H]8[C@]7(COC(=O)C[C@](CC(=O)O[C@@H]9[C@H]([C@H](CO[C@H]9O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O8)CO)O)O)O)O)(C)O)C)O)C)C)[C@@H]3CC(CC4)(C)C)C)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O
Canonical SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8OC(=O)C[C@@](C)(O)CC(=O)OC[C@@]7(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O

名称与同义词

  • Tubeimoside I
  • TubeimosideI
  • Tubeimoside 1
  • MFCD28396382
  • 102040-03-9
  • C63H98O29
  • SY231407
  • Olean-12-en-28-oic acid, 3-[[2-O-[4-O-[(3S)-4-carboxy-3-hydroxy-3-methyl-1-oxobutyl]-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyl]oxy]-2,23-dihydroxy-, 28-(O-beta-D-xylopyranosyl-(1-->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-alpha-L-arabinopyranosyl) ester, intramol. 4''(3)-->4''(28)-ester, (2beta,3beta,4alpha)-
  • [(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (1R,3R,5R,6S,7S,8R,10S,13S,14S,15R,19S,24R,25R,28R,29S,32S,37S,41R,42R,44S)-6,7,13,14,19,44-hexahydroxy-5-(hydroxymethyl)-19,24,28,29,35,35,42-heptamethyl-17,21-dioxo-2,4,9,11,16,22-hexaoxaoctacyclo[22.20.0.03,8.010,15.025,42.028,41.029,38.032,37]tetratetracont-38-ene-32-carboxylate
  • [(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl] (1R,3R,5R,6S,7S,8R,10S,13S,14S,15R,19S,24R,25R,28R,29S,32S,37S,41R,42R,44S)-6,7,13,14,19,44-hexahydroxy-5-(hydroxymethyl)-19,24,28,29,35,35,42-heptamethyl-17,21-dioxo-2,4,9,11,16,22-hexaoxaoctacyclo[22.20.0.03,8.010,15.025,42.028,41.029,38.032,37]tetratetracont-38-ene-32-carboxylate
  • Olean-12-en-28-oic acid, 3-[[2-O-[4-O-[(3S)-4-carboxy-3-hydroxy-3-methyl-1-oxobutyl]-|A-L-arabinopyranosyl]-|A-D-glucopyranosyl]oxy]-2,23-dihydroxy-, 28-(O-|A-D-xylopyranosyl-(1 inverted exclamation marku3)-O-6-deoxy-|A-L-mannopyranosyl-(1 inverted exclamation marku2)-|A-L-arabinopyranosyl) ester, intramol. 4''(3) inverted exclamation marku4''(28)-ester, (2|A,3|A,4|A)-