Chemical Compound

(6R)-2-{[(1S,3aS,3bS,7S,9aR,9bS,11aS)-1-{1-[(2R,4R,5R,5'aR,6R,7'R,9'R,9'aR)-5-{[(2S,4S,5R,6R)-5-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4S,5R,6R)-5-{[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]peroxy}-4-methoxy-6,9'-dimethyl-hexahydrospiro[oxane-2,3'-pyrano[3,4-c][1,2,5]trioxepin]-7'-yloxy]ethyl}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4-methoxy-6-methyl-3,6-dihydro-2H-pyran-3-one

(6R)-2-{[(1S,3aS,3bS,7S,9aR,9bS,11aS)-1-{1-[(2R,4R,5R,5'aR,6R,7'R,9'R,9'aR)-5-{[(2S,4S,5R,6R)-5-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4S,5R,6R)-5-{[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]peroxy}-4-methoxy-6,9'-dimethyl-hexahydrospiro[oxane-2,3'-pyrano[3,4-c][1,2,5]trioxepin]-7'-yloxy]ethyl}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4-methoxy-6-methyl-3,6-dihydro-2H-pyran-3-one 结构式
Primary record

(6R)-2-{[(1S,3aS,3bS,7S,9aR,9bS,11aS)-1-{1-[(2R,4R,5R,5'aR,6R,7'R,9'R,9'aR)-5-{[(2S,4S,5R,6R)-5-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4S,5R,6R)-5-{[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]peroxy}-4-methoxy-6,9'-dimethyl-hexahydrospiro[oxane-2,3'-pyrano[3,4-c][1,2,5]trioxepin]-7'-yloxy]ethyl}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4-methoxy-6-methyl-3,6-dihydro-2H-pyran-3-one

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
102026307
SMILES
C[C@@H]1C=C(C(=O)C(O1)O[C@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)CC[C@@H]5C(C)O[C@H]6C[C@@H]7[C@@H]([C@H](O6)C)OO[C@]8(C[C@H]([C@@H]([C@H](O8)C)OO[C@H]9C[C@@H]([C@@H]([C@H](O9)C)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O)OC)OC)O)OC)OC)CO7)C)C)OC
Canonical SMILES
COC1=C[C@@H](C)OC(O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H](C(C)O[C@H]6C[C@H]7OC[C@@]8(C[C@@H](OC)[C@H](OO[C@H]9C[C@H](OC)[C@H](O[C@H]%10C[C@@H](O)[C@H](O[C@H]%11C[C@H](OC)[C@H](O[C@H]%12C[C@@H](OC)[C@H](O)[C@@H](C)O%12)[C@@H](C)O%11)[C@@H](C)O%10)[C@@H](C)O9)[C@@H](C)O8)OO[C@@H]7[C@@H](C)O6)[C@@]5(C)CC[C@@H]43)C2)C1=O

名称与同义词

  • Periperoxide C
  • J2.665.243J
  • (6R)-2-{[(1S,3aS,3bS,7S,9aR,9bS,11aS)-1-{1-[(2R,4R,5R,5'aR,6R,7'R,9'R,9'aR)-5-{[(2S,4S,5R,6R)-5-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4S,5R,6R)-5-{[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]peroxy}-4-methoxy-6,9'-dimethyl-hexahydrospiro[oxane-2,3'-pyrano[3,4-c][1,2,5]trioxepin]-7'-yloxy]ethyl}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4-methoxy-6-methyl-3,6-dihydro-2H-pyran-3-one
  • 3beta-[[(6R)-3-Oxo-4-methoxy-6-methyl-3,6-dihydro-2H-pyran-2-yl]oxy]-20-[3-O,4-O-[methylene[3-O-methyl-4-O-[3-O-methyl-4-O-[4-O-[3-O-methyl-4-O-(3-O-methyl-2,6-dideoxy-beta-D-glucopyranosyl)-2,6-dideoxy-beta-D-allopyranosyl]-2,6-dideoxy-beta-D-glucopyranosyl]-2,6-dideoxy-beta-D-allopyranosyloxy]-2,6-dideoxy-beta-D-glucopyranose-1,1-O-diyl]]-2,6-dideoxy-beta-D-glucopyranosyloxy]pregna-5-ene