Chemical Compound

(3S,5S,6S,8S,9R,10S,13R,14S,15S,16R,17R)-17-((2R,5R)-5-(2-((2R,3R,4S,5R)-3-((2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl)oxy-4,5-dihydroxyoxan-2-yl)oxyethyl)-6-methylheptan-2-yl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthrene-3,6,8,15,16-pentol

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(3S,5S,6S,8S,9R,10S,13R,14S,15S,16R,17R)-17-((2R,5R)-5-(2-((2R,3R,4S,5R)-3-((2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl)oxy-4,5-dihydroxyoxan-2-yl)oxyethyl)-6-methylheptan-2-yl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthrene-3,6,8,15,16-pentol 结构式
Primary record

(3S,5S,6S,8S,9R,10S,13R,14S,15S,16R,17R)-17-((2R,5R)-5-(2-((2R,3R,4S,5R)-3-((2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl)oxy-4,5-dihydroxyoxan-2-yl)oxyethyl)-6-methylheptan-2-yl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthrene-3,6,8,15,16-pentol

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
13990011
SMILES
C[C@H](CC[C@H](CCO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)OC)C(C)C)[C@H]3[C@H]([C@H]([C@@H]4[C@@]3(CC[C@H]5[C@]4(C[C@@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)O)C)O)O
Canonical SMILES
CO[C@H]1[C@H](O[C@H]2[C@H](OCC[C@@H](CC[C@@H](C)[C@H]3[C@@H](O)[C@@H](O)[C@@H]4[C@]3(C)CC[C@@H]3[C@@]5(C)CC[C@H](O)C[C@@H]5[C@@H](O)C[C@]34O)C(C)C)OC[C@@H](O)[C@@H]2O)OC[C@@H](O)[C@@H]1O

名称与同义词

  • halityloside B
  • RefChem:145075
  • CHEMBL507915
  • J2.992.787A
  • (1R,2R,3S,3aS,3bS,5S,5aS,7S,9aS,9bR,11aR)-1-[(2R,5R)-5-(2-{[(2R,3R,4S,5R)-3-{[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}ethyl)-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-2,3,3b,5,7-pentol
  • (24R)-29-[2-O-(2-O-Methyl-beta-D-xylopyranosyl)-beta-D-xylopyranosyloxy]-5alpha-stigmastane-3beta,6alpha,8,15beta,16beta-pentaol
  • (3S,5S,6S,8S,9R,10S,13R,14S,15S,16R,17R)-17-((2R,5R)-5-(2-((2R,3R,4S,5R)-3-((2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl)oxy-4,5-dihydroxyoxan-2-yl)oxyethyl)-6-methylheptan-2-yl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthrene-3,6,8,15,16-pentol
  • (3S,5S,6S,8S,9R,10S,13R,14S,15S,16R,17R)-17-[(2R,5R)-5-[2-[(2R,3R,4S,5R)-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyethyl]-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15,16-pentol
  • (3S,6S,8S,10S,13R,15S,16R,17R)-17-((2R,5R)-5-(2-((2S,3S,4R,5S)-3-((2S,3R,4R,5R)-3,4-dihydroxy-5-methoxyoxan-2-yl)oxy-4,5-dihydroxyoxan-2-yl)oxyethyl)-6-methylheptan-2-yl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthrene-3,6,8,15,16-pentol
  • (3S,6S,8S,10S,13R,15S,16R,17R)-17-[(2R,5R)-5-[2-[(2S,3S,4R,5S)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyethyl]-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15,16-pentol