Chemical Compound

methyl 3-(2-{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(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl)propanoate

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methyl 3-(2-{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(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl)propanoate 结构式
Primary record

methyl 3-(2-{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(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl)propanoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177632603
SMILES
C[C@@H]1CC[C@H]2C(C(=O)OC([C@]2(C1CCC3=C4C(=C(C(=N4)C=C5C(=C(C(=CC6=C(C(=C(N6)C=C7C(=C(C3=N7)CCC(=O)OC)C)C)C=C)N5)C)C=C)C)CCC(=O)OC)O)OC(=O)C)C
Canonical SMILES
C=Cc1c(C)c2cc3[nH]c(cc4nc(c(CCC5[C@H](C)CC[C@H]6C(C)C(=O)OC(OC(C)=O)[C@@]56O)c5nc(cc1[nH]2)C(C)=C5CCC(=O)OC)C(CCC(=O)OC)=C4C)c(C)c3C=C

名称与同义词

  • J1.836.516B
  • 15-[2-[(1S,4abeta)-1beta-Acetoxy-3-oxo-4alpha,7beta-dimethyl-8abeta-hydroxyoctahydro-1H-2-benzopyran-8alpha-yl]ethyl]protoporphyrin dimethyl ester
  • methyl 3-(2-{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(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl)propanoate