[(2S,3S,4R,5R)-3-acetyloxy-5-(acetyloxymethyl)-4-hydroxyoxolan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5-[(2R,3R,4S,5S,6R)-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-[[(3S)-3-hydroxybutanoyl]oxymethyl]oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

기본 정보

표준 SMILES: CC(=O)OC[C@H]1O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2O[C@H](COC(=O)C[C@H](C)O)[C@@H](O)[C@@H]2O)[C@@H](OC(C)=O)[C@@H]1O
InChIKey: SWEDZXOFKYAHBT-AKPKGODFSA-N
분자식: C60H94O28
평균 분자량: 1,263.4 g/mol
단동위원소 질량: 1,262.59316237

SWEDZXOFKYAHBT-AKPKGODFSA-N has been reported in Solidago virgaurea with data available.

우선 이름: [(2S,3S,4R,5R)-3-acetyloxy-5-(acetyloxymethyl)-4-hydroxyoxolan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5-[(2R,3R,4S,5S,6R)-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-[[(3S)-3-hydroxybutanoyl]oxymethyl]oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
IUPAC: [(2S,3S,4R,5R)-3-acetyloxy-5-(acetyloxymethyl)-4-hydroxyoxolan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5-[(2R,3R,4S,5S,6R)-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-[[(3S)-3-hydroxybutanoyl]oxymethyl]oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

불러오는 중…

표준 SMILES: CC(=O)OC[C@H]1O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2O[C@H](COC(=O)C[C@H](C)O)[C@@H](O)[C@@H]2O)[C@@H](OC(C)=O)[C@@H]1O
InChIKey: SWEDZXOFKYAHBT-AKPKGODFSA-N
분자식: C60H94O28
평균 분자량: 1,263.4 g/mol
단동위원소 질량: 1,262.59316237

SWEDZXOFKYAHBT-AKPKGODFSA-N has been reported in Solidago virgaurea with data available.

우선 이름: [(2S,3S,4R,5R)-3-acetyloxy-5-(acetyloxymethyl)-4-hydroxyoxolan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5-[(2R,3R,4S,5S,6R)-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-[[(3S)-3-hydroxybutanoyl]oxymethyl]oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
IUPAC: [(2S,3S,4R,5R)-3-acetyloxy-5-(acetyloxymethyl)-4-hydroxyoxolan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5-[(2R,3R,4S,5S,6R)-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-[[(3S)-3-hydroxybutanoyl]oxymethyl]oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

불러오는 중…