Chemical Compound

(1S,3aS,3bS,5aR,7S,9aS,11aR)-7-{[(2S,3R,4S,5R)-3-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R)-4-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylperoxy)oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1-[(2S)-2-hydroxy-6-methylhept-6-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-2-one

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(1S,3aS,3bS,5aR,7S,9aS,11aR)-7-{[(2S,3R,4S,5R)-3-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R)-4-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylperoxy)oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1-[(2S)-2-hydroxy-6-methylhept-6-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-2-one 结构式
Primary record

(1S,3aS,3bS,5aR,7S,9aS,11aR)-7-{[(2S,3R,4S,5R)-3-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R)-4-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylperoxy)oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1-[(2S)-2-hydroxy-6-methylhept-6-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-2-one

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
102450452
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]2O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@H]5C4=CC[C@]6([C@]5(CC(=O)[C@@H]6[C@](C)(CCCC(=C)C)O)C)C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)OOC)O)O
Canonical SMILES
C=C(C)CCC[C@](C)(O)[C@H]1C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](OOC)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)CC[C@]4(C)C3=CC[C@]12C

名称与同义词

  • Holotoxin F
  • J3.088.197D
  • (1S,3aS,3bS,5aR,7S,9aS,11aR)-7-{[(2S,3R,4S,5R)-3-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R)-4-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylperoxy)oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1-[(2S)-2-hydroxy-6-methylhept-6-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-2-one
  • (20S)-20-Hydroxy-3beta-[[2-O-[4-O-[3-O-(3-O-methoxy-beta-D-glucopyranosyl)-beta-D-xylopyranosyl]-6-deoxy-beta-D-glucopyranosyl]-4-O-beta-D-glucopyranosyl-beta-D-xylopyranosyl]oxy]lanosta-9(11),25-diene-16-one