54693-68-4 (1,6-Dimethylphenanthro[1,2-b]furan-10,11-dione,Tanshinone I)

快速询单

结构式：

1,6-Dimethylphenanthro[1,2-b]furan-10,11-dioneMOL文件

CAS号：

54693-68-4

中文名称：

1,6-Dimethylphenanthro[1,2-b]furan-10,11-dione

英文名称：

Tanshinone I

分子式：

C₁₈H₁₂O₃

分子量：

276.286085128784

1,6-Dimethylphenanthro[1,2-b]furan-10,11-dione(54693-68-4)名称与标识符

名称

中文别名：

1,6-Dimethylphenanthro[1,2-b]furan-10,11-dione;丹参酮 I;

英文别名：

BRD-K34073885-001-09-3;Phenanthro[1,2-b]furan-10,11-dione, 1,6-dimethyl-;NCGC00247624-03;AS-68049;1,6-dimethylnaphtho[1,2-g]benzofuran-10,11-quinone;TanshinoneI;Tanshinone A;Tanshinone;Tanshinone I,(S);Tanshinone-I;s2364;CHEBI:149906;BCP28292;TANSHINONE I (CONSTITUENT OF CHINESE SALVIA);Tanshinon I;UNII-03UUH3J385;Tanshinon I, Tanshinone A, Tanshinquinone I;SW219821-1;BDBM51317;CHEMBL363535;568-73-0;HY-N0134;BBL010133;NCGC00247624-05;HMS2222J14;1,6-dimethyl-10H,11H-phenanthro[1,2-b]furan-10,11-dione;54693-68-4;AIGAZQPHXLWMOJ-UHFFFAOYSA-;SMR000445578;Tanshinone I (Standard);1,6-Dimethylphenanthro[1,2-b]furan-10,11-dione #;1,6-Dimethylphenanthro(1,2-b)furan-10,11-dione;MLS006011773;C18H12O3;AC-7999;DTXSID90972247;1,6-DIMETHYL-PHENANTHRO(1,2-B)FURAN-10,11-DIONE;Tanshinone I;Phenanthro[1,2-b]furan-10,11-dione, 1,6-dimethyl-; 1,6-Dimethylphenanthro[1,2-b]furan-10,11-dione; Tanshinon I; Tanshinone A; Tanshinone I;SCHEMBL244391;Phenanthro(1,2-b)furan-10,11-dione, 1,6-Dimethyl-;HMS3656A11;Tanshinone I, >=98% (HPLC);NCGC00247624-02;1,6-Dimethyl-phenanthro[1,2-b]furan-10,11-dione;BRD-K34073885-001-07-7;Q27247588;MFCD00210563;STK801472;AKOS005613012;MLS000697676;NCGC00247624-01;03UUH3J385;cid_114917;DB-052982;CCG-267206;Tanshinone I, analytical standard;1,6-dimethylnaphtho[1,2-g]benzofuran-10,11-dione;Tanshinquinone I;FT09979;TANSHINONE I (CONSTITUENT OF CHINESE SALVIA) [DSC];1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dione;Tanshinone I?;HY-N0134R;InChI=1/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3;

标识符

InChIKey：

AIGAZQPHXLWMOJ-UHFFFAOYSA-N

Inchi：

1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3

SMILES：

O1C=C(C)C2C(C(C3C4C=CC=C(C)C=4C=CC=3C1=2)=O)=O

1,6-Dimethylphenanthro[1,2-b]furan-10,11-dione(54693-68-4)物化性质

实验特性

沸点 : 498 °C at 760 mmHg
闪点 : 245.9 °C
密度 : 1.324

计算特性

精确分子量 : 276.079
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 0
同位素质量 : 276.079
重原子数量 : 21
复杂度 : 471
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 : 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） : 3.7
拓扑分子极性表面积 : 47.3A^2

1,6-Dimethylphenanthro[1,2-b]furan-10,11-dione(54693-68-4)相关文献

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