CAS: 102519-34-6; (4As,6As,6Br,8Ar,9R,10S,11R,12Ar,12Br,14Bs)-10,11-Dihydroxy-9-(Hydroxymethyl)-2,2,6A,6B,9,12A-Hexamethyl-1,3,4,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-Octadecahydropicene-4A(2H)-Carboxylic Acid

该化合物是一种三叶类化合物,具有氢氧油质骨质的特性,其结构特征,包括阿尔-方形2,3和23位置的三个氢氧基组,有助于其增强极度和潜在的生物活动.该化合物对制药和生化研究很感兴趣,因为它在生物活性衍生物合成中可能发挥前体或中间作用.其定义明确的立体化学和功能组使其适合于涉及结构-活动关系的研究,特别是在反氟化或代谢途径.在标准条件下,高度纯性和稳定性确保实验应用的可靠性.

英文名称(4As,6As,6Br,8Ar,9R,10S,11R,12Ar,12Br,14Bs)-10,11-Dihydroxy-9-(Hydroxymethyl)-2,2,6A,6B,9,12A-Hexamethyl-1,3,4,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-Octadecahydropicene-4A(2H)-Carboxylic Acid
中文名称2,3,23-三羟基-12-齐墩果烯-28-酸
IUPAC名称(4aS,6aS,6bR,8aR,9R,10S,11R,12aR,12bR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
其它别名2,3,23-Trihydroxy-12-Oleanen-28-Oic Acid; Olean-12-En-28-Oicacid, 2,3,23-Trihydroxy-, (2A,3A,4A)-; 2α,3α,23-Trihydroxyolean-12-En-28-Oic Acid; 23-Trihydroxy-12-Oleanen-28-Oic Acid; (4As,6As,6Br,8Ar,9R,10S,11R,12Ar,12Br,14Bs)-10,11-Dihydroxy-9-(Hydroxymethyl)-2,2,6A,6B,9,12A-Hexamethyl-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-Icosahydropicene-4A-Carboxylic Acid; 23-Trihydroxyolean-12-En-28-Oic Acid; 2α
CAS编号102519-34-6
MFCD编号:MFCD17214839
分子式:C30H48O5分子量:488.71
产品CID: 56056
产品分类天然产物 → 萜类

相似结构搜索
产品信息参考;;;;
InChIKey: RWNHLTKFBKYDOJ-LHFSSXJCSA-N
InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t
计算化学: 氢键受体数5.0氢键供体数4.0可旋转键数2.0

物理性质

沸点606.0±55.0 °C at 760 mmHg
闪点334.3±28.0 °C
密度1.2±0.1 g/cm3
pKa:4.62±0.70(预测)
PSA:97.99
LogP:6.51
折射率1.581
蒸汽压0.0±3.9 mmHg at 25°C
溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
外观形态粉末
储存条件2-8°C，干燥环境，密闭

MSDS等安全信息

危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
防范说明P264+P280+P305+P351+P338+P337+P313
危险品标志Xi
安全声明H303+H313+H333

上下游产品

2)-β-D-glucopyranosyl>-bayogenin3-O-α-L-arabinopyranosyl(1-2)-β-D-glucopyranosyl-bayogenin lobatoside C undeca-acetate of medicoside J 3-O-β-D-glucopyranosyl-2β,3β,23-trihydroxyolean-12-en-28-oic acid-28-O-β-D-xylopyranosyl-(1->6)-[β-D-glucopyranosyl-(1->2)]-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranoside 2α,3β,23-trihydroxyolean-12-en-28-oic acid methyl ester 3-hydroxy-2-carbonyl-23-norolean-3,12-diene-28-acid 2α,3β,23-triacetoxy-13-hydroxy-18α-oleanan-28-oic acid-lactone

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海关参考信息

2905122000-异丙醇
2905310000-1,2-乙二醇
2905320000-1,2-丙二醇
2905399001-1,3-丙二醇
2905399002-1,4-丁二醇
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