HCID57141858

20-(5,5-Dimethyl-1,3-dioxan-2-yl)-1alpha,3beta,7alpha-tris(methoxycarbonyloxy)pregn-5-ene

[(1S,3R,7S,8S,9S,10R,13S,14S,17R)-17-[1-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]-1,3-bis(methoxycarbonyloxy)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl] methyl carbonate

C33H50O11622.7 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)O[C@@H]1CC2=C[C@@H](OC(=O)OC)[C@H]3[C@@H]4CC[C@H](C(C)C5OCC(C)(C)CO5)[C@@]4(C)CC[C@@H]3[C@@]2(C)[C@@H](OC(=O)OC)C1
InChIKey: DCZLVGZCKMUQQS-QARKAYEDSA-N
分子式: C33H50O11
平均分子量: 622.7 g/mol
单同位素质量: 622.33531241

COMPUTED

结构计算性质

已同步

XLogP: 7.3
极性表面积: 125 Å²
氢键供体: 0
氢键受体: 11
可旋转键: 11
重原子: 44
形式电荷: 0
复杂度: 1,120

ALIASES

名称与别名

共 5 条

SCHEMBL9440981DCZLVGZCKMUQQS-QARKAYEDSA-N20-(5,5-dimethyl-1,3-dioxan-2-yl)-1alpha,3beta,7alpha-tris(methoxycarbonyloxy)pregn-5-ene20-(5,5-dimethyl-1,3 -dioxan-2-yl)-1alpha,3beta,7alpha-tris (methoxycarbonyloxy)pregn-5-ene20-(5,5-dimethyl-1,3-dioxan-2-yl)-1alpha,3beta,7alpha-tris (methoxycarbonyloxy)pregn-5-ene

REACTIONS