名称和标识符别名信息物化性质专业数据库参考

2744-47-0

（粗毛果白坚木碱,11a,6a-(Epoxyethano)-1,5-methano-11H-azocino[3,4-b]indole-6-carboxylicacid, 4-ethylidene-1,2,3,4,5,6-hexahydro-6-(hydroxymethyl)-, methyl ester,(1S,4E,5S,6R,6aS,11aR)-）

中文名称：粗毛果白坚木碱

英文名称： 11a,6a-(Epoxyethano)-1,5-methano-11H-azocino[3,4-b]indole-6-carboxylicacid, 4-ethylidene-1,2,3,4,5,6-hexahydro-6-(hydroxymethyl)-, methyl ester,(1S,4E,5S,6R,6aS,11aR)-

CAS No.： 2744-47-0

分子式： C₂₁H₂₆N₂O₄

分子量： 370.44214

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：粗毛果白坚木碱结构式

下载该化合物MOL文件：粗毛果白坚木碱MOL

PubChem CID： 53297350

快速询单

粗毛果白坚木碱的其他展现形式

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名称和标识符

InChIKey	OQJSSGHGITUGKL-MEASUVLSSA-N
Inchi	InChI=1S/C21H26N2O4/c1-3-13-11-22-17-10-15(13)19(12-24,18(25)26-2)20-8-9-27-21(17,20)23-16-7-5-4-6-14(16)20/h3-7,15,17,22-24H,8-12H2,1-2H3/b13-3+/t15-,17-,19?,20-,21-/m0/s1
SMILES	C/C=C1/CN[C@H]2C[C@@H]/1C([C@@]13CCO[C@]12NC1=CC=CC=C13)(CO)C(OC)=O

别名信息

- 中文别名 -

粗毛果白坚木碱

- 英文别名 -

11a,6a-(Epoxyethano)-1,5-methano-11H-azocino[3,4-b]indole-6-carboxylicacid, 4-ethylidene-1,2,3,4,5,6-hexahydro-6-(hydroxymethyl)-, methyl ester,(1S,4E,5S,6R,6aS,11aR)-
11a,6a-(Epoxyethano)-1,5-methano-11H-azocino[3,4-b]indole-6-carboxylicacid, 4-ethylidene-1,2,3,4,5,6-hexahydro-6-(hydroxymeth
11a,6a-(Epoxyethano)-1,5-methano-11H-azocino[3,4-b]indole-6-carboxylicacid, 4-ethylidene-1,2,3...
Aspidodasycarpine
4,5-Secoakuammilan-17-oic acid, 2,5-epoxy-1,2-dihydro-16-(hydroxymethyl)-, methyl ester, (2.alpha.)-

4,5-Secoakuammilan-17-oic acid, 2,5-epoxy-1,2-dihydro-16-(hydroxymethyl)-, methyl ester, (2.alpha.,16S)-
2744-47-0
DTXSID10693260
Methyl (1S,4Z,5S,6aS,11aR)-4-ethylidene-6-(hydroxymethyl)-1,2,3,4,5,6-hexahydro-11H-11a,6a-(epoxyethano)-1,5-methanoazocino[3,4-b]indole-6-carboxylate
C09039

物化性质

实验特性

折射率	1.642
沸点	554.2°C at 760 mmHg
闪点	289°C
密度	1.33

计算特性

精确分子量	370.189257
氢键供体数量	3
氢键受体数量	6
可旋转化学键数量	3
同位素质量	370.189257
重原子数量	27
复杂度	681
同位素原子数量	0
确定原子立构中心数量	4
不确定原子立构中心数量	1
确定化学键立构中心数量	1
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）	0.8
拓扑分子极性表面积	79.8