Name: Gambogellic acid
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT213886953
Cas No:173867-04-4
常用名:Gambogellic acid
别名:藤黄烯酸
IUPAC:4-[14-hydroxy-8,23,23-trimethyl-5-(3-methylbut-2-en-1-yl)-16,20-dioxo-11-(prop-1-en-2-yl)-3,7,22-trioxaheptacyclo[17.4.1.1^{8,12}.0^{2,17}.0^{2,21}.0^{4,15}.0^{6,13}]pentacosa-4(15),5,13,17-tetraen-21-yl]-2-methylbut-2-enoic acid
IUPAC:4-[14-hydroxy-8,23,23-trimethyl-5-(3-methylbut-2-en-1-yl)-16,20-dioxo-11-(prop-1-en-2-yl)-3,7,22-trioxaheptacyclo[17.4.1.1^{8,12}.0^{2,17}.0^{2,21}.0^{4,15}.0^{6,13}]pentacosa-4(15),5,13,17-tetraen-21-yl]-2-methylbut-2-enoic acid
InChI key:NVYMXCXFPJLTOZ-UHFFFAOYSA-N

分子式:C38H44O8
分子量:628.762
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[#6]\[#6](-[#6])=[#6]\[#6]-c1c2-[#8]C34[#6]5-[#6]-[#6](-[#6]=[#6]3-[#6](=O)-c2c(-[#8])c2-[#6]-3-[#6]C([#6])([#6]-[#6]-[#6]-3-[#6](-[#6])=[#6])[#8]-c12)-[#6](=O)C4([#6]-[#6]=[#6](-[#6])-[#6](-[#8])=O)[#8]C5([#6])[#6] |w:36.41,c:12,TLB:27:26:21:19.31.30,17:19:26.25.24:21,42:34:13.12:10.9,35:34:13.12:10.9,5:31:26.25.24:21,THB:43:9:13.12:34.32|
SMILES:[#6]\[#6](-[#6])=[#6]\[#6]-c1c2-[#8]C34[#6]5-[#6]-[#6](-[#6]=[#6]3-[#6](=O)-c2c(-[#8])c2-[#6]-3-[#6]C([#6])([#6]-[#6]-[#6]-3-[#6](-[#6])=[#6])[#8]-c12)-[#6](=O)C4([#6]-[#6]=[#6](-[#6])-[#6](-[#8])=O)[#8]C5([#6])[#6] |w:36.41,c:12,TLB:27:26:21:19.31.30,17:19:26.25.24:21,42:34:13.12:10.9,35:34:13.12:10.9,5:31:26.25.24:21,THB:43:9:13.12:34.32|

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