92219-95-9 ([6aS,(-)]-8β-Chloro-9α-ethenyl-2,6,6aα,7,8,9,10,10aα-octahydro-10α-isocyano-6,6,9-trimethylnaphtho[1,2,3-cd]indole,(6aS,8R,9R,10R,10aR)-8-chloro-9-ethenyl-10-isocyano-6,6,9-trimethyl-2,6,6a,7,8,9,10,10a-octahydronaphtho[1,2,3-cd]indole)

快速询单

结构式：

[6aS,(-)]-8β-Chloro-9α-ethenyl-2,6,6aα,7,8,9,10,10aα-octahydro-10α-isocyano-6,6,9-trimethylnaphtho[1,2,3-cd]indoleMOL文件

CAS号：

92219-95-9

中文名称：

[6aS,(-)]-8β-Chloro-9α-ethenyl-2,6,6aα,7,8,9,10,10aα-octahydro-10α-isocyano-6,6,9-trimethylnaphtho[1,2,3-cd]indole

英文名称：

(6aS,8R,9R,10R,10aR)-8-chloro-9-ethenyl-10-isocyano-6,6,9-trimethyl-2,6,6a,7,8,9,10,10a-octahydronaphtho[1,2,3-cd]indole

分子式：

C₂₁H₂₃ClN₂

分子量：

338.873724222183

[6aS,(-)]-8β-Chloro-9α-ethenyl-2,6,6aα,7,8,9,10,10aα-octahydro-10α-isocyano-6,6,9-trimethylnaphtho[1,2,3-cd]indole(92219-95-9)名称与标识符

名称

中文别名：

[6aS,(-)]-8β-Chloro-9α-ethenyl-2,6,6aα,7,8,9,10,10aα-octahydro-10α-isocyano-6,6,9-trimethylnaphtho[1,2,3-cd]indole;

英文别名：

(6aS,8R,9R,10R,10aR)-8-chloro-9-ethenyl-10-isocyano-6,6,9-trimethyl-2,6,6a,7,8,9,10,10a-octahydronaphtho[1,2,3-cd]indole;hapalindole A;CHEMBL2071359;(2R,3R,4R,5R,7S)-5-chloro-4-ethenyl-3-isocyano-4,8,8-trimethyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),9(16),10,12-tetraene;(-)-Hapalindole A;SCHEMBL9134004;DTXSID30919292;Naphth(1,2,3-cd)indole, 8-chloro-9-ethenyl-2,6,6a,7,8,9,10,10a-octahydro-10-isocyano-6,6,9-trimethyl-, (6aS,8R,9R,10R,10aR)-;8O0;SMR003519685;MLS004797560;MLS005148206;92219-95-9;(-)- Hapalindole A;(2R,3R,4R,5R,7S)-5-chloro-4-ethenyl-3-isocyano-4,8,8-trimethyl-14-azatetracyclo(7.6.1.02,7.013,16)hexadeca-1(15),9(16),10,12-tetraene;

标识符

InChIKey：

UGBGKUYYYCTXAK-DJNKVENRSA-N

Inchi：

1S/C21H23ClN2/c1-6-21(4)16(22)10-14-18(19(21)23-5)12-11-24-15-9-7-8-13(17(12)15)20(14,2)3/h6-9,11,14,16,18-19,24H,1,10H2,2-4H3/t14-,16+,18-,19+,21-/m0/s1

SMILES：

Cl[C@@H]1C[C@@H]2C(C)(C)C3=CC=CC4=C3C(=CN4)[C@@H]2[C@H]([C@]1(C=C)C)[N+]#[C-]

[6aS,(-)]-8β-Chloro-9α-ethenyl-2,6,6aα,7,8,9,10,10aα-octahydro-10α-isocyano-6,6,9-trimethylnaphtho[1,2,3-cd]indole(92219-95-9)物化性质

计算特性

精确分子量 : 338.1549764g/mol
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 1
同位素质量 : 338.1549764g/mol
重原子数量 : 24
复杂度 : 590
同位素原子数量 : 0
确定原子立构中心数量 : 5
不确定原子立构中心数量 : 0
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） : 5.2
拓扑分子极性表面积 : 20.2Å²

[6aS,(-)]-8β-Chloro-9α-ethenyl-2,6,6aα,7,8,9,10,10aα-octahydro-10α-isocyano-6,6,9-trimethylnaphtho[1,2,3-cd]indole(92219-95-9)相关文献

1. Recent advances in hapalindole-type cyanobacterial alkaloids: biosynthesis, synthesis, and biological activity
Robert M. Hohlman,David H. Sherman Nat. Prod. Rep. 2021 38 1567
2. Discovery of a multi-bond forming, four-step tandem process: construction of drug-like polycyclic scaffolds
Mark W. Grafton,Louis J. Farrugia,Hans Martin Senn,Andrew Sutherland Chem. Commun. 2012 48 7994
3. Recent progress in the chemistry of indole alkaloids and mould metabolites
J. E. Saxton Nat. Prod. Rep. 1989 6 433
4. Biosynthetic studies on marine natural products
M. J. Garson Nat. Prod. Rep. 1989 6 143
5. Terpene synthases in disguise: enzymology, structure, and opportunities of non-canonical terpene synthases
Jeffrey D. Rudolf,Chin-Yuan Chang Nat. Prod. Rep. 2020 37 425
6. The chemical ecology of cyanobacteria
Pedro N. Le?o,Niclas Engene,Agostinho Antunes,William H. Gerwick,Vitor Vasconcelos Nat. Prod. Rep. 2012 29 372
7. Chemical labeling strategies for small molecule natural product detection and isolation
Chambers C. Hughes Nat. Prod. Rep. 2021 38 1684
8. Recent advances in the Overman rearrangement: synthesis of natural products and valuable compounds
Rodney A. Fernandes,Pullaiah Kattanguru,Sachin P. Gholap,Dipali A. Chaudhari Org. Biomol. Chem. 2017 15 2672
9. Racent progress in the chemistry of indole alkaloids and mould metabolites
J. E. Saxton Nat. Prod. Rep. 1989 6 1
10. Recent progress in the chemistry of indole alkaloids and mould metabolites
J. E. Saxton Nat. Prod. Rep. 1986 3 353

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92219-95-9 ([6aS,(-)]-8β-Chloro-9α-ethenyl-2,6,6aα,7,8,9,10,10aα-octahydro-10α-isocyano-6,6,9-trimethylnaphtho[1,2,3-cd]indole,(6aS,8R,9R,10R,10aR)-8-chloro-9-ethenyl-10-isocyano-6,6,9-trimethyl-2,6,6a,7,8,9,10,10a-octahydronaphtho[1,2,3-cd]indole)

[6aS,(-)]-8β-Chloro-9α-ethenyl-2,6,6aα,7,8,9,10,10aα-octahydro-10α-isocyano-6,6,9-trimethylnaphtho[1,2,3-cd]indole(92219-95-9)名称与标识符

名称

标识符

[6aS,(-)]-8β-Chloro-9α-ethenyl-2,6,6aα,7,8,9,10,10aα-octahydro-10α-isocyano-6,6,9-trimethylnaphtho[1,2,3-cd]indole(92219-95-9)物化性质

计算特性

[6aS,(-)]-8β-Chloro-9α-ethenyl-2,6,6aα,7,8,9,10,10aα-octahydro-10α-isocyano-6,6,9-trimethylnaphtho[1,2,3-cd]indole(92219-95-9)相关文献

目录