Chemical Compound

3-Methylbutanoic acid (1S,3S,3aR,4R,5R,6R,7aS)-1-acetoxy-5-(formyloxy)-3-(3-furyl)-6-[(5R,5aR,9aS)-5,5a,6,7,9,9a-hexahydro-5,9a-dimethyl-2,7-dioxo-2H-pyrano[3,4-b]oxepin-5-yl]octahydro-7a-hydroxy-3a-methyl-7-methylene-1H-indene-4-yl ester

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3-Methylbutanoic acid (1S,3S,3aR,4R,5R,6R,7aS)-1-acetoxy-5-(formyloxy)-3-(3-furyl)-6-[(5R,5aR,9aS)-5,5a,6,7,9,9a-hexahydro-5,9a-dimethyl-2,7-dioxo-2H-pyrano[3,4-b]oxepin-5-yl]octahydro-7a-hydroxy-3a-methyl-7-methylene-1H-indene-4-yl ester 结构式
Primary record

3-Methylbutanoic acid (1S,3S,3aR,4R,5R,6R,7aS)-1-acetoxy-5-(formyloxy)-3-(3-furyl)-6-[(5R,5aR,9aS)-5,5a,6,7,9,9a-hexahydro-5,9a-dimethyl-2,7-dioxo-2H-pyrano[3,4-b]oxepin-5-yl]octahydro-7a-hydroxy-3a-methyl-7-methylene-1H-indene-4-yl ester

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
102595319
SMILES
CC(C)CC(=O)O[C@H]1[C@@H]([C@@H](C(=C)[C@@]2([C@@]1([C@@H](C[C@@H]2OC(=O)C)C3=COC=C3)C)O)[C@]4(C=CC(=O)O[C@]5([C@@H]4CC(=O)OC5)C)C)OC=O
Canonical SMILES
C=C1[C@@H]([C@@]2(C)C=CC(=O)O[C@]3(C)COC(=O)C[C@H]23)[C@@H](OC=O)[C@H](OC(=O)CC(C)C)[C@@]2(C)[C@H](c3ccoc3)C[C@H](OC(C)=O)[C@]12O

名称与同义词

  • J2.430.739E
  • 12-Deacyl-12-(3-methylbutanoyl)rohituka substance 7
  • (1S,3S,3aR,4R,5R,6R,7aS)-6-[(5R,5aR,9aS)-5,9a-dimethyl-2,7-dioxo-2H,5H,5aH,6H,7H,9H,9aH-pyrano[3,4-b]oxepin-5-yl]-1-(acetyloxy)-5-(formyloxy)-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-octahydro-1H-inden-4-yl 3-methylbutanoate
  • 3-Methylbutanoic acid (1S,3S,3aR,4R,5R,6R,7aS)-1-acetoxy-5-(formyloxy)-3-(3-furyl)-6-[(5R,5aR,9aS)-5,5a,6,7,9,9a-hexahydro-5,9a-dimethyl-2,7-dioxo-2H-pyrano[3,4-b]oxepin-5-yl]octahydro-7a-hydroxy-3a-methyl-7-methylene-1H-indene-4-yl ester