Chemical Compound

methyl 3-(12-{2-[(1S,4R,4aS,7R,8S,8aR)-1-(acetyloxy)-8a-hydroxy-4,7-dimethyl-3-oxo-octahydro-1H-2-benzopyran-8-yl]ethyl}-10,15-diethenyl-20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-4-yl)propanoate

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methyl 3-(12-{2-[(1S,4R,4aS,7R,8S,8aR)-1-(acetyloxy)-8a-hydroxy-4,7-dimethyl-3-oxo-octahydro-1H-2-benzopyran-8-yl]ethyl}-10,15-diethenyl-20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-4-yl)propanoate 结构式
Primary record

methyl 3-(12-{2-[(1S,4R,4aS,7R,8S,8aR)-1-(acetyloxy)-8a-hydroxy-4,7-dimethyl-3-oxo-octahydro-1H-2-benzopyran-8-yl]ethyl}-10,15-diethenyl-20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-4-yl)propanoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177618765
SMILES
C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@@H]([C@]2([C@H]1CCC3=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C6C(=C(C(=CC7=C(C(=C3N7)C)C=C)N6)C)CCC(=O)OC)CCC(=O)OC)C)C)C=C)O)OC(=O)C)C
Canonical SMILES
C=CC1=C(C)c2cc3nc(cc4[nH]c(cc5[nH]c(c(C)c5C=C)c(CC[C@H]5[C@H](C)CC[C@H]6[C@@H](C)C(=O)O[C@H](OC(C)=O)[C@@]56O)c1n2)c(C)c4CCC(=O)OC)C(CCC(=O)OC)=C3C

名称与同义词

  • J1.836.518I
  • 5-[2-[(1S,4abeta)-1beta-Acetoxy-3-oxo-4alpha,7beta-dimethyl-8abeta-hydroxyoctahydro-1H-2-benzopyran-8alpha-yl]ethyl]protoporphyrin dimethyl ester
  • methyl 3-(12-{2-[(1S,4R,4aS,7R,8S,8aR)-1-(acetyloxy)-8a-hydroxy-4,7-dimethyl-3-oxo-octahydro-1H-2-benzopyran-8-yl]ethyl}-10,15-diethenyl-20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-4-yl)propanoate