Chemical Compound

(1S,4S,7S,8S,9R,11S,13S,14S,18S,22S,25S,27R,28S,29S,30R,32R,34R,35S,37R,38R,41R,42S,46S,53S,54R,55R,56R,57S,58R)-7,8,18,28,29,35,55,56,58-Nonahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-57-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.2~11,14~.2~22,25~.1~34,38~.0~1,46~.0~4,9~.0~27,32~.0~37,42~.0~45,53~]octapentacont-44-ene-2,16,20-trione

CAS Registry Number 102040-03-9
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(1S,4S,7S,8S,9R,11S,13S,14S,18S,22S,25S,27R,28S,29S,30R,32R,34R,35S,37R,38R,41R,42S,46S,53S,54R,55R,56R,57S,58R)-7,8,18,28,29,35,55,56,58-Nonahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-57-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.2~11,14~.2~22,25~.1~34,38~.0~1,46~.0~4,9~.0~27,32~.0~37,42~.0~45,53~]octapentacont-44-ene-2,16,20-trione 结构式
Primary record

(1S,4S,7S,8S,9R,11S,13S,14S,18S,22S,25S,27R,28S,29S,30R,32R,34R,35S,37R,38R,41R,42S,46S,53S,54R,55R,56R,57S,58R)-7,8,18,28,29,35,55,56,58-Nonahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-57-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.2~11,14~.2~22,25~.1~34,38~.0~1,46~.0~4,9~.0~27,32~.0~37,42~.0~45,53~]octapentacont-44-ene-2,16,20-trione

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
156588438
SMILES
C[C@H]1[C@H]2[C@H]([C@H]([C@@H](O1)O[C@@H]3[C@H]([C@H](CO[C@H]3OC(=O)[C@@]45CC[C@@]6(C(=CC[C@@H]7[C@]6(CC[C@@H]8[C@@]7(C[C@@H]([C@@H]([C@@]8(C)CO)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H](CO1)OC(=O)C[C@](CC(=O)O2)(C)O)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O
Canonical SMILES
C[C@@H]1O[C@H]2O[C@H]3[C@@H](OC[C@H](O)[C@@H]3O)OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@H](OC(=O)C[C@](C)(O)CC(=O)O[C@@H]1[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4

名称与同义词

  • Tubeimoside I
  • Lobatoside H
  • Tubeimoside 1
  • Tubeimoside-1
  • TUBEIMOSIDE A
  • TBMS1 saponin
  • TUBELIMOSIDE A
  • RefChem:192428
  • DTXSID801317543
  • MCPFEAJYKIXPQF-QXJNFEKOSA-N
  • 102040-03-9
  • DTXCID401747352
  • MFCD28396382
  • NP7040
  • ACN-035639
  • TUBELIMOSIDE A (REFERENCE GRADE)
  • CID:156588438
  • SID:134222738
  • A896915
  • C051084
  • (1S,4S,7S,8S,9R,11S,13S,14S,18S,22S,25S,27R,28S,29S,30R,32R,34R,35S,37R,38R,41R,42S,46S,53S,54R,55R,56R,57S,58R)-7,8,18,28,29,35,55,56,58-Nonahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-57-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.2~11,14~.2~22,25~.1~34,38~.0~1,46~.0~4,9~.0~27,32~.0~37,42~.0~45,53~]octapentacont-44-ene-2,16,20-trione
  • 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)-