27216-04-2 (二氢枞酸,Dihydroabietic acid)

快速询单

结构式：

二氢枞酸MOL文件

CAS号：

27216-04-2

中文名称：

二氢枞酸

英文名称：

Dihydroabietic acid

分子式：

C₂₀H₃₂O₂

分子量：

304.466886520386

二氢枞酸(27216-04-2)名称与标识符

名称

英文别名：

1-Phenanthrenecarboxylic acid, dodecahydro-1,4A-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,4balpha,10aalpha))-;

标识符

InChIKey：

ZJHGZCRUIYHIHW-SFBFCYGASA-N

Inchi：

1S/C20H32O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,13-14,16-17H,5-6,8-12H2,1-4H3,(H,21,22)/t14?,16-,17?,19-,20+/m1/s1

SMILES：

C(O)(=O)[C@]1(CCC[C@]2(C)[C@]3(C(=CCC12)CC(C(C)C)CC3)[H])C

二氢枞酸(27216-04-2)物化性质

计算特性

精确分子量 : 304.240230259g/mol
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 2
同位素质量 : 304.240230259g/mol
重原子数量 : 22
复杂度 : 492
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 : 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） : 5.4
拓扑分子极性表面积 : 37.3Å²

二氢枞酸(27216-04-2)相关文献

1. 613. The molecular rotations of polycyclic compounds. Part II. Diterpenoids and sesquiterpenoids
W. Klyne J. Chem. Soc. 1953 3072
2. Monomer design strategies to create natural product-based polymer materials
Samantha L. Kristufek,Kevin T. Wacker,Yi-Yun Timothy Tsao,Lu Su,Karen L. Wooley Nat. Prod. Rep. 2017 34 433
3. Intrinsic kinetics study of rosin hydrogenation on a nickel catalyst supported on spent equilibrium catalyst
Yingying Huang,Linlin Wang,Xiaopeng Chen,Xiaojie Wei,Jiezhen Liang,Wei Li RSC Adv. 2017 7 25780
4. Synthesis of a Gum rosin alcohol-poly(acrylamide) based adsorbent and its application in removal of malachite green dye from waste water
B. S. Kaith,Rajeev Jindal,Rachna Sharma RSC Adv. 2015 5 43092
5. Synthesis of abietane and transformation of enmein into enantioabietane
Eiichi Fujita,Tetsuro Fujita,Hajime Katayama Chem. Commun. (London) 1967 968
6. Synthesis, characterization and activity performance of nickel-loaded spent FCC catalyst for pine gum hydrogenation
Xiaopeng Chen,Lu Ren,Muhammad Yaseen,Linlin Wang,Jiezhen Liang,Ruixue Liang,Xiankun Chen,Huiqing Guo RSC Adv. 2019 9 6515
7. Reactions of diterpenoids in concentrated sulphuric acid. Part 1. Novel rearrangements of tetrahydroabietic acids
Brian E. Cross,Michael R. Firth,Roger E. Markwell J. Chem. Soc. Perkin Trans. 1 1979 2930
8. The hydroboration-oxidation of abietic acid
B. E. Cross,P. L. Myers J. Chem. Soc. C 1968 471
9. Organic chemistry
J. Chem. Soc. Abstr. 1922 122 i801
10. Index of subjects
Annu. Rep. Prog. Chem. 1948 45 362

27216-04-2 (二氢枞酸,Dihydroabietic acid)

二氢枞酸(27216-04-2)名称与标识符

名称

标识符

二氢枞酸(27216-04-2)物化性质

计算特性

二氢枞酸(27216-04-2)相关文献

目录