317819-78-6 (Tricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-8-(1-methylethyl)-,(1R,2S,6S,7S,8S)-,(-)-β-Copaene)

快速询单

结构式：

Tricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-8-(1-methylethyl)-,(1R,2S,6S,7S,8S)-MOL文件

CAS号：

317819-78-6

中文名称：

Tricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-8-(1-methylethyl)-,(1R,2S,6S,7S,8S)-

英文名称：

(-)-β-Copaene

分子式：

C₁₅H₂₄

分子量：

204.351064682007

Tricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-8-(1-methylethyl)-,(1R,2S,6S,7S,8S)-(317819-78-6)名称与标识符

名称

中文别名：

(-)-Β-COPAENE;

英文别名：

Tricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, (1R,2S,6S,7S,8S)-;(-)-β-Copaene;DTXSID101037116;18252-44-3;317819-78-6;Tricyclo(4.4.0.02,7)decane, 1-methyl-3-methylene-8-(1-methylethyl)-, (1R,2S,6S,7S,8S)-;(-)-beta-Copaene;Copaene, beta-;FDX76373XC;(1R,2S,6S,7S,8S)-1-methyl-3-methylidene-8-(propan-2-yl)tricyclo[4.4.0.0?,?]decane;(-)-.BETA.-COPAENE;rel-(1R,2S,6S,7S,8S)-1-Methyl-3-methylene-8-(1-methylethyl)tricyclo[4.4.0.02,7]decane;UNII-FDX76373XC;Q27277937;(1R,2S,6S,7S,8S)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane;

标识符

InChIKey：

UPVZPMJSRSWJHQ-BTFPBAQTSA-N

Inchi：

1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14+,15+/m0/s1

SMILES：

[C@@]12(C)[C@]3([H])[C@@]([H])([C@@]1([H])C(=C)CC3)[C@H](C(C)C)CC2

Tricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-8-(1-methylethyl)-,(1R,2S,6S,7S,8S)-(317819-78-6)物化性质

实验特性

沸点 : 255.9±7.0 °C at 760 mmHg
熔点 : Not available
蒸气压 : 0.0±0.2 mmHg at 25°C
闪点 : 104.9±5.8 °C
溶解度 : Chloroform (Slightly), Ethyl Acetate (Slightly)
密度 : 0.9±0.1 g/cm3

计算特性

精确分子量 : 204.187800766g/mol
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 1
同位素质量 : 204.187800766g/mol
重原子数量 : 15
复杂度 : 301
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） : 4.7
拓扑分子极性表面积 : 0Å²

Tricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-8-(1-methylethyl)-,(1R,2S,6S,7S,8S)-(317819-78-6)安全信息

Tricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-8-(1-methylethyl)-,(1R,2S,6S,7S,8S)-(317819-78-6)推荐厂家更多厂家(2)

公司名称	手机号/电话	联系人	QQ	微信	询单
西安德而塔生物科技有限公司	18133906270 18133906270	张女士	2590956145		询单
西安德而塔生物科技有限公司	18133906270 18133906270	张女士	2590956145		询单

Tricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-8-(1-methylethyl)-,(1R,2S,6S,7S,8S)-(317819-78-6)相关文献

1. Volatile components in Yinchenzhufu decoction and their pharmacokinetics after oral administration in rats
Bin Zan,Yuanyuan Li,Xiaoshu Sun,Tianming Wang,Rong Shi,Yueming Ma RSC Adv. 2022 12 3287
2. CCCCXII.—The constituents of oil of supa. A new natural source of copaene
George Gerald Henderson,William M'Nab,John Monteath Robertson J. Chem. Soc. 1926 129 3077
3. Measurements of biogenic hydrocarbons and carbonyl compounds emitted by trees from temperate warm Atlantic rainforest, Brazil
Lilian R. F. Carvalho,Pérola C. Vasconcellos,Waldir Mantovani,Cristina S. Pool,Silvana O. Pisani J. Environ. Monit. 2005 7 493
4. Pimenta dioica and Pimenta racemosa: GC-based metabolomics for the assessment of seasonal and organ variation in their volatile components, in silico and in vitro cytotoxic activity estimation
Fadia S. Youssef,Rola M. Labib,Haidy A. Gad,SafaaY. Eid,Mohamed L. Ashour,Hanaa H. Eid Food Funct. 2021 12 5247
5. Chemistry, biosynthesis and biology of floral volatiles: roles in pollination and other functions
Stefan D?tterl,Jonathan Gershenzon Nat. Prod. Rep. 2023 40 1901
6. Headspace solid-phase microextraction comprehensive 2D gas chromatography-time of flight mass spectrometry (HS-SPME-GC × GC-TOFMS) for origin traceability of the genus Hymenaea resinites
Xiaopeng Su,Jing Yu,Zhaotong Shi,Yamei Wang,Yan Li RSC Adv. 2023 13 14150
7. 245. The constitution of cop?ne
Lindsay H. Briggs,William I. Taylor J. Chem. Soc. 1947 1338
8. Studies on a new route to (±)-copaene and (±)-ylangene
David A. Archer,Steven M. Bromidge,Peter G. Sammes J. Chem. Soc. Perkin Trans. 1 1988 3223
9. 602. Synthesis of 1,2,3,4-tetrahydro-7-hydroxy-4-isopropyl-1,6-dimethylnaphthalene. A degradation product of copaene
Wesley Cocker,D. M. Sainsbury J. Chem. Soc. 1965 3319
10. Application of gas-liquid chromatography to the analysis of essential oils. Part XI. Monographs for seven essential oils
Analytical Methods Committee Analyst 1984 109 1343

Tricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-8-(1-methylethyl)-,(1R,2S,6S,7S,8S)-(317819-78-6)参考资料

Reaxys RN：

PubChem CID：

21722369

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960化工网为您提供Tricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-8-(1-methylethyl)-,(1R,2S,6S,7S,8S)-专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.317819-78-6,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:317819-78-6 国际站:317819-78-6