Chemical Compound

(1R,4S,7S,8S,9R,11S,13S,14S,18S,23R,24S,25S,26R,27S,29R,30S,31S,32R,34R,36R,37S,39R,40R,43R,44R,48S,53R,55S,56R,58S,59R)-7,8,18,24,25,26,30,31,37,53,59-undecahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione

CAS Registry Number 115810-13-4
返回搜索 申请报价
(1R,4S,7S,8S,9R,11S,13S,14S,18S,23R,24S,25S,26R,27S,29R,30S,31S,32R,34R,36R,37S,39R,40R,43R,44R,48S,53R,55S,56R,58S,59R)-7,8,18,24,25,26,30,31,37,53,59-undecahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione 结构式
Primary record

(1R,4S,7S,8S,9R,11S,13S,14S,18S,23R,24S,25S,26R,27S,29R,30S,31S,32R,34R,36R,37S,39R,40R,43R,44R,48S,53R,55S,56R,58S,59R)-7,8,18,24,25,26,30,31,37,53,59-undecahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione

库存
5,121 克
纯度
98.9 %
CAS
115810-13-4

化合物标识与属性

CAS
115810-13-4
PubChem CID
131844995
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@]45CCC(C[C@H]4C6=CC[C@H]7[C@]([C@@]6(C[C@H]5O)C)(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]([C@H](O1)COC(=O)C[C@](CC(=O)O2)(C)O)O)O)O)O)C)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]7O[C@H](COC(=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](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O

名称与同义词

  • Tubeimoside III
  • Tubeimoside C
  • orb1302301
  • CHEMBL4577253
  • MS-32138
  • J1.603.907A
  • 115810-13-4
  • (1R,4S,7S,8S,9R,11S,13S,14S,18S,23R,24S,25S,26R,27S,29R,30S,31S,32R,34R,36R,37S,39R,40R,43R,44R,48S,53R,55S,56R,58S,59R)-7,8,18,24,25,26,30,31,37,53,59-undecahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione
  • 3beta,28-[(2-Deoxy-beta-D-glucopyranose-1-O,2-diyl)(beta-D-glucopyranose-1-O,6-O-diyl)[(3S)-1,5-dioxo-3-hydroxy-3-methylpentane-1,5-diyl](3-O-beta-D-xylopyranosyl-6-deoxy-alpha-L-mannopyranose-4-O,1-O-diyl)(2-deoxy-alpha-L-arabinopyranose-2,1-O-diyl)]-28-oxooleana-12-ene-2beta,16alpha,23-triol
  • 43H-18,22-Epoxy-6,9-ethano-29,32-methano-42a,35,38-[1]propanyl[3]ylidene-2H,11H,24H,29H-dibenzo[z,e1]dipyrano[3,2-t:2 inverted exclamation marka,3 inverted exclamation marka-i1][1,3,6,12,19,22,34]heptaoxacyclohexatriacontin, olean-12-en-28-oic acid deriv.