Ipecoside | 15401-60-2

中文名称：Ipecoside
英文名称：Ipecoside
CAS No.：15401-60-2 分子式：C₂₇H₃₅NO₁₂ 分子量：565.5663
植物源：吐根
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击：Ipecoside结构式
价格行情：Ipecoside价格
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Ipecoside的其他展现形式

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简介

Ipecoside 是从 Psychotria 分离的生物碱。

[植物来源] :吐根

[溶解性] :可溶于甲醇、乙醇、DMSO 等有机溶剂;

名称和标识符

InChIKey	QISXROCIXKXUPS-WREVTHRSSA-N
Inchi	1S/C27H35NO12/c1-4-14-16(8-18-15-9-20(32)19(31)7-13(15)5-6-28(18)12(2)30)17(25(36)37-3)11-38-26(14)40-27-24(35)23(34)22(33)21(10-29)39-27/h4,7,9,11,14,16,18,21-24,26-27,29,31-35H,1,5-6,8,10H2,2-3H3/t14-,16+,18-,21-,22-,23+,24-,26+,27+/m0/s1
SMILES	O([C@]1([H])[C@]([H])([C@@]([H])([C@]([H])([C@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[H])[C@]1([H])[C@@]([H])(C([H])=C([H])[H])[C@]([H])(C(C(=O)OC([H])([H])[H])=C([H])O1)C([H])([H])[C@@]1([H])C2=C([H])C(=C(C([H])=C2C([H])([H])C([H])([H])N1C(C([H])([H])[H])=O)O[H])O[H]

别名信息

- 中文别名 -

Ipecoside

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- 英文别名 -

methyl (2S,3R,4S)-4-{[(1R)-2-acetyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate Ipecoside AIDS031406 methyl (2S)-4-[[(1R)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-ethenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate (4S)-3-(2-methyl-2-propenoyl)-4-phenyl-2-oxazolidinone (4S)-4-phenyl-N-methacryloyloxazolidin-2-one (4S)-N-Methacryloyl-4-phenyl-2-oxazolidinone (S)-3-methacryloyl-4-phenyloxazolidin-2-one 2-Oxazolidinone, 3-(2-methyl-1-oxo-2-propenyl)-4-phenyl-, (4S)- AC1LDYI9 CTK0E7818 NSC 603972 (2S)-4α-[[(1R)-2-Acetyl-1,2,3,4-tetrahydro-6,7-dihydroxyisoquinolin-1-yl]methyl]-3α-vinyl-2β-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylic acid methyl ester 2H-Pyran-5-carboxylic acid, 4-[(2-acetyl-1,2,3,4-tetrahydro-6,7-dihydroxy-1-isoquinolinyl)methyl]-3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-, methyl ester, [2S-[2α,3β,4β(S*)]]-Ipecoside (6CI,8CI) Methyl (2R,3S,4R)-4-[[(1S)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-ethenyl-

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物化性质

计算特性

精确分子量	565.21600
氢键供体数量	6
氢键受体数量	12
可旋转化学键数量	8
同位素质量	565.21592555 g/mol
重原子数量	40
复杂度	960
同位素原子数量	0
确定原子立构中心数量	0
不确定原子立构中心数量	9
确定化学键立构中心数量	0
不确定化学键立构中心数量	0
共价键单元数量	1
疏水参数计算参考值（XlogP）	-0.3
拓扑分子极性表面积	196
分子量	565.6

实验特性

LogP	-0.48040
PSA	195.68000
熔点	177-180 ºC
溶解度	溶解 (49 g/L) (25 ºC),
颜色与性状	Powder
密度	1.50±0.1 g/cm3 (20 ºC 760 Torr),