Chemical Compound

(3S)-5-[(3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[[(2S,3R,6aR,6bS,8aS,12aR,14aR,14bR)-2-hydroxy-8a-[(2S,3R,4S,5S)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,9,10,12,12a,14,14a-dodecahydropicen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid

CAS Registry Number 102040-03-9
返回搜索 申请报价
(3S)-5-[(3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[[(2S,3R,6aR,6bS,8aS,12aR,14aR,14bR)-2-hydroxy-8a-[(2S,3R,4S,5S)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,9,10,12,12a,14,14a-dodecahydropicen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid 结构式
Primary record

(3S)-5-[(3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[[(2S,3R,6aR,6bS,8aS,12aR,14aR,14bR)-2-hydroxy-8a-[(2S,3R,4S,5S)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,9,10,12,12a,14,14a-dodecahydropicen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid

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
3034097
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@]34CCC(C[C@@H]3C5=CC[C@H]6[C@]([C@@]5(C=C4)C)(CCC7[C@@]6(C[C@@H]([C@@H](C7(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@H](CO9)OC(=O)C[C@](C)(CC(=O)O)O)O)O)O)C)C)(C)C)O)O[C@@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O
Canonical SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@@]34C=C[C@]5(C)C(=CC[C@@H]6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@H](OC(=O)C[C@@](C)(O)CC(=O)O)[C@H](O)[C@H]8O)C(C)(C)C7CC[C@]65C)[C@H]3CC(C)(C)CC4)OC[C@H](O)[C@@H]2O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

名称与同义词

  • Tubeimoside I
  • Tubeimoside
  • Tubeimoside 1
  • Tubeimoside-1
  • TBMS1 saponin
  • TUBEIMOSIDE A
  • AC1MHWVX
  • Homoursodeoxycholic acid
  • CID3034097
  • FT-0631020
  • FT-0777320
  • 102040-03-9
  • (3S)-5-[(3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[[(2S,3R,6aR,6bS,8aS,12aR,14aR,14bR)-2-hydroxy-8a-[(2S,3R,4S,5S)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,9,10,12,12a,14,14a-dodecahydropicen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid
  • Olean-12-en-28-oic acid, 3-((2-O-(4-O-(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 ester, (2beta,3beta(S),4alpha)-