55780-22-8 ((2h-1,4-dioxadicyclopent[cd,f]azulene-3,9-dione, 2a,4a,5,6,6a,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-)

快速询单

结构式：

2h-1,4-dioxadicyclopent[cd,f]azulene-3,9-dione, 2a,4a,5,6,6a,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-MOL文件

CAS号：

55780-22-8

英文名称：

2h-1,4-dioxadicyclopent[cd,f]azulene-3,9-dione, 2a,4a,5,6,6a,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-

分子式：

C₁₇H₂₂O₅

分子量：

306.353585720062

2h-1,4-dioxadicyclopent[cd,f]azulene-3,9-dione, 2a,4a,5,6,6a,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-(55780-22-8)名称与标识符

名称

英文别名：

2h-1,4-dioxadicyclopent[cd,f]azulene-3,9-dione, 2a,4a,5,6,6a,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-;NSC-19942;2H-1,f]azulene-3,9-dione, 2a,4a,5,6,6a,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-;Ambros-2-en-12-oic acid, 6-beta,13-epoxy-8-alpha,13-dihydroxy-11-methyl-4-oxo-, gamma-lactone;2H-1,f]azulene-3,9-dione, 2a,4a,5,6,6a,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-, [2R-(2.alpha.,2a.alpha.,4a.alpha.,6.alpha.,6a.alpha.,9a.beta.,9b.alpha.,9c.alpha.)]-;2H-1,4-Dioxadicyclopenta(cd,f)azulene-3,9-dione, 2a,4a,5,6,6a,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-, (2aR,4aS,6R,6aR,9aR,9bR,9cR)-;C09557;8O6QE3MHR3;(2AR,4aS,6R,6aR,9aR,9bR,9cR)-2-hydroxy-2,2a,6,9a-tetramethyl-2a,4a,5,6,6a,9a,9b,9c-octahydro-2H-1,4-dioxadicyclopenta[cd,f]azulene-3,9-dione;2-hydroxy-2,2a,6,9a-tetramethyl-2a,4a,5,6,6a,9a,9b,9c-octahydro-2H-1,4-dioxadicyclopenta[cd,f]azulene-3,9-dione;NCI60_001654;Ambros-2-en-12-oic acid, 6.beta.,13-epoxy-8.alpha.,13-dihydroxy-11-methyl-4-oxo-, .gamma.-lactone;Q27108396;CHEBI:9441;HY-N10919;BDBM50250368;NSC19942;NSC 19942;(2aR,4aS,6R,6aR,9aR,9bR,9cR)-2-hydroxy-2,2a,6,9a-tetramethyl-2a,4a,5,6,6a,9a,9b,9c-octahydro-2H-1,4-dioxadicyclopenta(cd,f)azulene-3,9-dione;55780-22-8;19202-92-7;UNII-8O6QE3MHR3;CHEMBL490324;DTXSID60971161;CS-0637568;Tenulin;(1R,2R,6R,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadec-4-ene-3,11-dione;

标识符

InChIKey：

CNIULSUYTFOEHN-MEBIVNBJSA-N

Inchi：

1S/C17H22O5/c1-8-7-10-12-13(15(2)9(8)5-6-11(15)18)22-17(4,20)16(12,3)14(19)21-10/h5-6,8-10,12-13,20H,7H2,1-4H3/t8-,9+,10+,12-,13-,15+,16+,17?/m1/s1

SMILES：

O1C(C)([C@]2(C)C(=O)O[C@H]3C[C@@H](C)[C@@H]4C=CC([C@@]4(C)[C@H]1[C@H]23)=O)O

2h-1,4-dioxadicyclopent[cd,f]azulene-3,9-dione, 2a,4a,5,6,6a,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-(55780-22-8)物化性质

计算特性

精确分子量 : 306.14672380g/mol
氢键供体数量 : 1
氢键受体数量 : 5
可旋转化学键数量 : 0
同位素质量 : 306.14672380g/mol
重原子数量 : 22
复杂度 : 612
同位素原子数量 : 0
确定原子立构中心数量 : 7
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） : 0.3
拓扑分子极性表面积 : 72.8Å²

2h-1,4-dioxadicyclopent[cd,f]azulene-3,9-dione, 2a,4a,5,6,6a,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-(55780-22-8)相关文献

1. 27. Sesquiterpenoids. Part VII. The constitution of tenulin, a novel sesquiterpenoid lactone
D. H. R. Barton,P. de Mayo J. Chem. Soc. 1956 142
2. Sesquiterpenoids. Part XXII. X-Ray crystallographic determination of the stereochemistry and conformation of deacetylneotenulin
Philip J. Cox,George A. Sim J. Chem. Soc. Perkin Trans. 2 1976 990
3. Recent advances in sesquiterpenoid chemistry
D. H. R. Barton,P. De Mayo Q. Rev. Chem. Soc. 1957 11 189
4. Crystal and molecular structure of bromohelenalin (C15H17O4Br)
Mazhar-Ul-Haque,Charles N. Caughlan J. Chem. Soc. B 1969 956
5. The molecular and crystal structure of bromomexicanin E (C14H15O3Br)
C. N. Caughlan,Mazhar-Ul-Haque,Merle T. Emerson Chem. Commun. (London) 1966 151
6. Index pages
Nat. Prod. Rep. 1997 14 I1
7. Recent advances in chemical ecology
J. B. Harborne Nat. Prod. Rep. 1989 6 85
8. Antitumour plants. Part 6. Novel modified germacranolides and other constituents of Eremanthus elaeagnus Schultz-bip (compositae)
Philip W. Le Quesne,Steven B. Levery,Mary D. Menachery,Thomas F. Brennan,Robert F. Raffauf J. Chem. Soc. Perkin Trans. 1 1978 1572
9. 194. Sesquiterpenoids. Part X. The constitution of lactucin
D. H. R. Barton,C. R. Narayanan J. Chem. Soc. 1958 963
10. Crystal structure and absolute configuration of bromoisotenulin
Mazhar-Ul-Haque,Donald Rogers,Charles N. Caughlan J. Chem. Soc. Perkin Trans. 2 1974 223

55721-12-5(NSC 19942) 19202-92-7(细叶堆心菊素) 80896-61-3(（反）N-苄基吡咯烷-4-苯基-3-甲酸乙酯) 80930-74-1(姜状三七苷R1) 80948-74-9(4-Bromo-N,3-dimethylaniline) 81025-03-8(（2S，3R，4R，5R）-4-{[（2R，3R，4S，5R，6S）-3,4,5,6-四羟基四氢-2H-吡喃-2-基]氧基}己烷-1,2,3,5,6-戊醇二水合物（非优选名称）) 810668-53-2(Methyl (4Z,7S,8E,10Z,12E,14E,16R,17S,19Z)-7,16,17-trihydroxy-4,8, 10,12,14,19-docosahexaenoate) 81115-49-3(6-羧酸-5-氨基-1H-吲唑)

960化工网为您提供2h-1,4-dioxadicyclopent[cd,f]azulene-3,9-dione, 2a,4a,5,6,6a,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-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.55780-22-8,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:55780-22-8 国际站:55780-22-8

55780-22-8 ((2h-1,4-dioxadicyclopent[cd,f]azulene-3,9-dione, 2a,4a,5,6,6a,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-)

2h-1,4-dioxadicyclopent[cd,f]azulene-3,9-dione, 2a,4a,5,6,6a,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-(55780-22-8)名称与标识符

名称

标识符

2h-1,4-dioxadicyclopent[cd,f]azulene-3,9-dione, 2a,4a,5,6,6a,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-(55780-22-8)物化性质

计算特性

2h-1,4-dioxadicyclopent[cd,f]azulene-3,9-dione, 2a,4a,5,6,6a,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-(55780-22-8)相关文献

目录