Chemical Compound

(1S,3S,4R,5R,7S,9R,10S,11S,12R,14R,16S,28R,29S,30S,31R,33R,36R,37R,38R,39R,41R)-4,10,11,29,30,39-hexahydroxy-41-{[(2S,3R,4R,5R,6S)-4-hydroxy-6-methyl-3,5-bis({[(2S)-2-methylbutanoyl]oxy})oxan-2-yl]oxy}-5,12,31-tris(hydroxymethyl)-37-{[(2S)-2-methylbutanoyl]oxy}-26-oxo-16-pentyl-2,6,8,13,15,27,32,34,40-nonaoxapentacyclo[34.3.1.13,7.09,14.028,33]hentetracontan-38-yl (2S)-2-methylbutanoate

CAS Registry Number 156057-51-1
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(1S,3S,4R,5R,7S,9R,10S,11S,12R,14R,16S,28R,29S,30S,31R,33R,36R,37R,38R,39R,41R)-4,10,11,29,30,39-hexahydroxy-41-{[(2S,3R,4R,5R,6S)-4-hydroxy-6-methyl-3,5-bis({[(2S)-2-methylbutanoyl]oxy})oxan-2-yl]oxy}-5,12,31-tris(hydroxymethyl)-37-{[(2S)-2-methylbutanoyl]oxy}-26-oxo-16-pentyl-2,6,8,13,15,27,32,34,40-nonaoxapentacyclo[34.3.1.13,7.09,14.028,33]hentetracontan-38-yl (2S)-2-methylbutanoate 结构式
Primary record

(1S,3S,4R,5R,7S,9R,10S,11S,12R,14R,16S,28R,29S,30S,31R,33R,36R,37R,38R,39R,41R)-4,10,11,29,30,39-hexahydroxy-41-{[(2S,3R,4R,5R,6S)-4-hydroxy-6-methyl-3,5-bis({[(2S)-2-methylbutanoyl]oxy})oxan-2-yl]oxy}-5,12,31-tris(hydroxymethyl)-37-{[(2S)-2-methylbutanoyl]oxy}-26-oxo-16-pentyl-2,6,8,13,15,27,32,34,40-nonaoxapentacyclo[34.3.1.13,7.09,14.028,33]hentetracontan-38-yl (2S)-2-methylbutanoate

库存
6,376 克
纯度
99.3 %
CAS
156057-51-1

化合物标识与属性

CAS
156057-51-1
PubChem CID
10329109
SMILES
CCCCC[C@H]1CCCCCCCCCC(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O[C@H]4[C@@H]([C@H](O[C@H]([C@@H]4O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC(=O)[C@@H](C)CC)O)OC(=O)[C@@H](C)CC)O[C@@H]6[C@H]([C@@H]([C@H](O[C@H]6O1)CO)O)O)CO)O)O)OC(=O)[C@@H](C)CC)OC(=O)[C@@H](C)CC)CO)O)O
Canonical SMILES
CCCCC[C@H]1CCCCCCCCCC(=O)O[C@H]2[C@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O1)O[C@H](CO)[C@@H](O)[C@@H]5O)[C@@H]4O[C@@H]1O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](O)[C@H]1OC(=O)[C@@H](C)CC)[C@H](O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]3OC(=O)[C@@H](C)CC)O[C@H](CO)[C@@H](O)[C@@H]2O

名称与同义词

  • Woodrosin I
  • C66H112O30
  • C66-H112-O30
  • J1.765.741K
  • (11S)-1,11-[(1-Deoxy-beta-D-glucopyranose-2-O,1-diyl)[3-O,4-O-bis[(2S)-2-methylbutanoyl]-1-deoxy-beta-D-glucopyranose-6-O,1-diyl][2-O-[2-O,4-O-bis[(2S)-2-methylbutanoyl]-alpha-L-rhamnopyranosyl]-1-deoxy-beta-D-glucopyranose-3-O,1-diyl][beta-D-glucopyranose-2-O,1-O-diyl]]-1-oxohexadecane
  • (11S)-11,1-[(2-Deoxy-beta-D-glucopyranose-1-O,2-diyl)[2-O-[2-O,4-O-bis[(2S)-2-methylbutanoyl]-alpha-L-rhamnopyranosyl]-3-deoxy-beta-D-glucopyranose-1-O,3-diyl][3-O,4-O-bis[(2S)-2-methylbutanoyl]-6-deoxy-beta-D-glucopyranose-1-O,6-diyl](beta-D-glucopyranose-1-O,2-O-diyl)]hexadecane-1-one
  • (1S,3S,4R,5R,7S,9R,10S,11S,12R,14R,16S,28R,29S,30S,31R,33R,36R,37R,38R,39R,41R)-4,10,11,29,30,39-hexahydroxy-41-{[(2S,3R,4R,5R,6S)-4-hydroxy-6-methyl-3,5-bis({[(2S)-2-methylbutanoyl]oxy})oxan-2-yl]oxy}-5,12,31-tris(hydroxymethyl)-37-{[(2S)-2-methylbutanoyl]oxy}-26-oxo-16-pentyl-2,6,8,13,15,27,32,34,40-nonaoxapentacyclo[34.3.1.13,7.09,14.028,33]hentetracontan-38-yl (2S)-2-methylbutanoate
  • (S)-Intramol. 1-2''''-11-((O-6-deoxy-2,4-bis-O-((S)-2-methyl-1-oxobutyl)-alpha-L-mannopyranosyl-(1-2)-O-(O-beta-D-glucopyranosyl-(1-6)-3,4-bis-D-((S)-2-methyl-1-oxobutyl)-beta-D-glopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-2)-beta-D-glucopyranosyl)oxy)hexadecanoate
  • 156057-51-1
  • Jalapinolic acid 11-O-glucopyranosyl-1-6-O-(3,4-di-O-2-methylbutyryl)glucopyranosyl-1-3-O-((2,4-di-O-2-methylbutyryl)rhamnopyranosyl-1-2)-O-glucopyranosyl-1-2-glucopyranoside intramolecular 1,2'''''-ester