21416-14-8 (潘克瑞辛,Pancracine)

快速询单

结构式：

潘克瑞辛MOL文件

CAS号：

21416-14-8

中文名称：

潘克瑞辛

英文名称：

Pancracine

分子式：

C₁₆H₁₇NO₄

分子量：

287.310484647751

植物源：

孤挺花

潘克瑞辛(21416-14-8)名称与标识符

名称

中文别名：

潘克瑞辛;

英文别名：

Pancracine;6,11-methano-6H-benzo[b]-1,3-benzodioxolo[5,6-e]azepine-8,9-diol, 5,6a,7,8,9,11-hexahydro-, (6aS,8S,9S,11S)-;6,11-Methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8,9-diol, 5,6a,7,8,9,11-hexahydro-, [6aS-(6.beta.,6a.alpha.,8.alpha.,9.beta.,11.beta.)]-;Hippagine;(-)-Pancracine;[6aS-(6.beta.,6a.alpha.,8.alpha.,9.beta.,11.beta.)]-5,6a,7,8,9,11-Hex ahydro-6,11-methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8,9-diol;21416-14-8;CHEBI:181611;AKOS040735338;NCGC00385948-01_C16H17NO4_6,11-Methano-6H-benzo[b]-1,3-benzodioxolo[5,6-e]azepine-8,9-diol, 5,6a,7,8,9,11-hexahydro-;NCGC00385948-01;5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraene-15,16-diol;JKZMYBLUKAMPKM-UHFFFAOYSA-N;

标识符

InChIKey：

JKZMYBLUKAMPKM-UHFFFAOYSA-N

Inchi：

1S/C16H17NO4/c18-13-2-10-11-6-17(12(10)4-14(13)19)5-8-1-15-16(3-9(8)11)21-7-20-15/h1-3,11-14,18-19H,4-7H2

SMILES：

OC1C(C=C2C3C4C=C5C(=CC=4CN(C3)C2C1)OCO5)O

潘克瑞辛(21416-14-8)物化性质

计算特性

精确分子量 : 287.11575802g/mol
氢键供体数量 : 2
氢键受体数量 : 5
可旋转化学键数量 : 0
同位素质量 : 287.11575802g/mol
重原子数量 : 21
复杂度 : 481
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 : 4
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
拓扑分子极性表面积 : 62.2Å²

潘克瑞辛(21416-14-8)相关文献

1. An operationally simple and fully regiocontrolled formal total synthesis of the montanine-type Amaryllidaceae alkaloid (±)-pancracine
Martin G. Banwell,Alison J. Edwards,Katrina A. Jolliffe,Michael Kemmler alkaloid (±)-pancracine. Martin G. Banwell Alison J. Edwards Katrina A. Jolliffe Michael Kemmler J. Chem. Soc. Perkin Trans. 1 2001 1345
2. Stereoselective synthesis of (3R*,3aS*,7aS*)-3-aryloctahydroindol-2-ones using radical cyclisation: a formal synthesis of (±)-pancracine
Masazumi Ikeda,Masahiro Hamada,Takashi Yamashita,Katsuaki Matsui,Tatsunori Sato,Hiroyuki Ishibashi J. Chem. Soc. Perkin Trans. 1 1999 1949
3. Radical-mediated synthesis of the 5,11-methanomorphanthridine ring system: formal total synthesis of montanine-type Amaryllidaceae alkaloids, (±)-montanine, (±)-coccinine and (±)-pancracine
Miyuki Ishizaki,Ken-Ichi Kurihara,Eiko Tanazawa,Osamu Hoshino J. Chem. Soc. Perkin Trans. 1 1993 101
4. Radical-mediated synthesis of the 5,11-methanomorphanthridine ring system: formal total synthesis of montanine-type Amaryllidaceae alkaloids, (±)-montanine, (±)-coccinine and (±)-pancracine
Miyuki Ishizaki,Ken-Ichi Kurihara,Eiko Tanazawa,Osamu Hoshino J. Chem. Soc. Perkin Trans. 1 1993 101
5. Radical-mediated synthesis of the 5,11-methanomorphanthridine ring system: formal total synthesis of montanine-type Amaryllidaceae alkaloids, (±)-montanine, (±)-coccinine and (±)-pancracine
Miyuki Ishizaki,Ken-Ichi Kurihara,Eiko Tanazawa,Osamu Hoshino J. Chem. Soc. Perkin Trans. 1 1993 101
6. Amaryllidaceae and Sceletium alkaloids
Zhong Jin,Guangmin Yao Nat. Prod. Rep. 2019 36 1462
7. Transition metal-catalyzed iodine(iii)-mediated nitrene transfer reactions: efficient tools for challenging syntheses
B. Darses,R. Rodrigues,L. Neuville,M. Mazurais,P. Dauban Chem. Commun. 2017 53 493
8. Amaryllidaceae and Sceletium alkaloids
Zhong Jin Nat. Prod. Rep. 2003 20 606
9. Amaryllidaceae and Sceletium alkaloids
John R. Lewis Nat. Prod. Rep. 1996 13 171
10. Amaryllidaceae and Sceletium alkaloids
J. R. Lewis Nat. Prod. Rep. 1994 11 329