Name: Morellic acid
Rating: 5 (10 reviews)

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HIT ID:HIT212665065
Cas No:5304-71-2
常用名:Morellic acid
别名:藤黄酸B
IUPAC:(2Z)-4-[(1S,2S,17S,19R)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0^{2,15}.0^{2,19}.0^{4,13}.0^{6,11}]docosa-4,6(11),9,12,15-pentaen-19-yl]-2-methylbut-2-enoic acid
IUPAC:(2Z)-4-[(1S,2S,17S,19R)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0^{2,15}.0^{2,19}.0^{4,13}.0^{6,11}]docosa-4,6(11),9,12,15-pentaen-19-yl]-2-methylbut-2-enoic acid
InChI key:COVMVPHACFXMAX-OYNOKLRGSA-N

分子式:C33H36O8
分子量:560.643
氢键供体数 (HBD):2
氢键受体数 (HBA):8
LogP:6.046089
SMILES:[#6]\[#6](-[#6])=[#6]\[#6]-c1c2-[#8][C@@]34[#6@H]5-[#6]-[#6@@H](-[#6]=[#6]3-[#6](=O)-c2c(-[#8])c2-[#6]=[#6]C([#6])([#6])[#8]-c12)-[#6](=O)[C@]4([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)[#8]C5([#6])[#6] |c:12,22,TLB:12:11:8:38.37,13:8:38.37:10.11.27,THB:38:9:12.13:29.27,7:8:38.37:10.11.27|
SMILES:[#6]\[#6](-[#6])=[#6]\[#6]-c1c2-[#8][C@@]34[#6@H]5-[#6]-[#6@@H](-[#6]=[#6]3-[#6](=O)-c2c(-[#8])c2-[#6]=[#6]C([#6])([#6])[#8]-c12)-[#6](=O)[C@]4([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)[#8]C5([#6])[#6] |c:12,22,TLB:12:11:8:38.37,13:8:38.37:10.11.27,THB:38:9:12.13:29.27,7:8:38.37:10.11.27|

Morellic acid (Standard) 是 Morellic acid 的标准品。适用于定量分析、质量控制及生化实验等相关研究。Morellic acid 提取于 Garcinia Morella 中，具有抗血管生成作用。

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