80677-96-9 ((3aR,3bβ,6aβ)-4β-Hydroxy-3aα,5,5-trimethyl-3-methylene-1α,7aα-epoxydecahydro-2H-cyclopenta[a]pentalene-2-one,(3aR,3bβ,6aβ)-4β-Hydroxy-3aα,5,5-trimethyl-3-methylene-1α,7aα-epoxydecahydro-2H-cyclopenta[a]pentalene-2-one)

快速询单

结构式：

(3aR,3bβ,6aβ)-4β-Hydroxy-3aα,5,5-trimethyl-3-methylene-1α,7aα-epoxydecahydro-2H-cyclopenta[a]pentalene-2-oneMOL文件

CAS号：

80677-96-9

中文名称：

(3aR,3bβ,6aβ)-4β-Hydroxy-3aα,5,5-trimethyl-3-methylene-1α,7aα-epoxydecahydro-2H-cyclopenta[a]pentalene-2-one

英文名称：

(3aR,3bβ,6aβ)-4β-Hydroxy-3aα,5,5-trimethyl-3-methylene-1α,7aα-epoxydecahydro-2H-cyclopenta[a]pentalene-2-one

分子式：

C₁₅H₂₀O₃

分子量：

248.317504882813

(3aR,3bβ,6aβ)-4β-Hydroxy-3aα,5,5-trimethyl-3-methylene-1α,7aα-epoxydecahydro-2H-cyclopenta[a]pentalene-2-one(80677-96-9)名称与标识符

名称

中文别名：

(3aR,3bβ,6aβ)-4β-Hydroxy-3aα,5,5-trimethyl-3-methylene-1α,7aα-epoxydecahydro-2H-cyclopenta[a]pentalene-2-one;

英文别名：

(3aR,3bβ,6aβ)-4β-Hydroxy-3aα,5,5-trimethyl-3-methylene-1α,7aα-epoxydecahydro-2H-cyclopenta[a]pentalene-2-one;80677-96-9;UNII-KZ0A93H82W;hypnophilin;Cyclopenta(4,5)pentaleno(1,6a-b)oxiren-2(1ah)-one, octahydro-4-hydroxy-3a,5,5-trimethyl-3-methylene-, (1as-(1aalpha,3abeta,3balpha,4alpha,6aalpha,7ar*))-;CHEMBL506567;DTXSID301345614;KZ0A93H82W;(1S,3R,6R,7R,8R,11S)-6-hydroxy-5,5,8-trimethyl-9-methylidene-12-oxatetracyclo[6.4.0.01,11.03,7]dodecan-10-one;(-)-Hypnophilin;Q27282513;Cyclopenta(4,5)pentaleno(1,6a-b)oxiren-2(1ah)-one, octahydro-4-hydroxy-3a,5,5-trimethyl-3-methylene-, (1aS,3aR,3bR,4R,6aR,7aS)-;InChI=1/C15H20O3/c1-7-10(16)12-15(18-12)6-8-5-13(2,3)11(17)9(8)14(7,15)4/h8-9,11-12,17H,1,5-6H2,2-4H3/t8-,9+,11-,12-,14+,15-/m1/s;CHEBI:181698;CYCLOPENTA(4,5)PENTALENO(1,6A-B)OXIREN-2(1AH)-ONE, OCTAHYDRO-4-HYDROXY-3A,5,5-TRIMETHYL-3-METHYLENE-, (1AS-(1A.ALPHA.,3A.BETA.,3B.ALPHA.,4.ALPHA.,6A.ALPHA.,7AR*))-;

标识符

InChIKey：

FBSAMOXBBLSEEW-ZYHYCFKLSA-N

Inchi：

1S/C15H20O3/c1-7-10(16)12-15(18-12)6-8-5-13(2,3)11(17)9(8)14(7,15)4/h8-9,11-12,17H,1,5-6H2,2-4H3/t8-,9+,11-,12-,14+,15-/m1/s1

SMILES：

O1[C@@H]2C(C(=C)[C@@]3(C)[C@@H]4[C@H](C(C)(C)C[C@@H]4C[C@]132)O)=O

(3aR,3bβ,6aβ)-4β-Hydroxy-3aα,5,5-trimethyl-3-methylene-1α,7aα-epoxydecahydro-2H-cyclopenta[a]pentalene-2-one(80677-96-9)物化性质

计算特性

精确分子量 : 248.14124450g/mol
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 0
同位素质量 : 248.14124450g/mol
重原子数量 : 18
复杂度 : 494
同位素原子数量 : 0
确定原子立构中心数量 : 6
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） : 1.9
拓扑分子极性表面积 : 49.8Å²

(3aR,3bβ,6aβ)-4β-Hydroxy-3aα,5,5-trimethyl-3-methylene-1α,7aα-epoxydecahydro-2H-cyclopenta[a]pentalene-2-one(80677-96-9)相关文献

1. Thiols, thioethers, and related compounds as sources of C-centred radicals
Fabrice Dénès,Carl H. Schiesser,Philippe Renaud Chem. Soc. Rev. 2013 42 7900
2. A chemoenzymatic synthesis of (?)-hirsutene from toluene
Martin G. Banwell,Alison J. Edwards,Gwion J. Harfoot,Katrina A. Jolliffe J. Chem. Soc. Perkin Trans. 1 2002 2439
3. Thinking big about small beings – the (yet) underdeveloped microbial natural products chemistry in Brazil
Laura P. Ióca,Pierre-Marie Allard,Roberto G. S. Berlinck Nat. Prod. Rep. 2014 31 646
4. Metal-catalyzed cycloisomerization as a powerful tool in the synthesis of complex sesquiterpenoids
Christos I. Stathakis,Petros L. Gkizis,Alexandros L. Zografos Nat. Prod. Rep. 2016 33 1093
5. Natural sesquiterpenoids
Braulio M. Fraga Nat. Prod. Rep. 2003 20 392
6. Asymmetric electrocyclic reactions
Sam Thompson,Anthony G. Coyne,Peter C. Knipe,Martin D. Smith Chem. Soc. Rev. 2011 40 4217
7. Index pages
Nat. Prod. Rep. 1996 13 I1

82793-03-1(（5xi，9xi，18alpha，22alpha）-22,23-二羟基齐墩果-12-烯-3-基2-O-β-D-吡喃葡萄糖基-β-D-吡喃半乳糖醛酸) 82796-37-0(（2R，3R，8S，14R）-2,8-双（4-羟基苯基）-3,4-二氢-2H，14H-8,14-甲氧基色氨酸[7,8-d][1,3]苯并二氧辛-3,5,11,13,15-戊醇) 82509-40-8(（3α，13α，14β，17α，20S）-3-羟基羊毛甾-7,24-二烯-21-酸) 82509-41-9(8-表番木鳖酸) 82517-08-6(4-Hydroxytetramycin A) 82525-24-4(4-（4-甲氧基苯基）-1-甲基-1H-吡唑) 82535-76-0(Myoscorpine) 82882-71-1(N-[(苯甲氧基)羰基]-1-(三苯基甲基)-L-组氨酸)

960化工网为您提供(3aR,3bβ,6aβ)-4β-Hydroxy-3aα,5,5-trimethyl-3-methylene-1α,7aα-epoxydecahydro-2H-cyclopenta[a]pentalene-2-one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.80677-96-9,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:80677-96-9 国际站:80677-96-9

80677-96-9 ((3aR,3bβ,6aβ)-4β-Hydroxy-3aα,5,5-trimethyl-3-methylene-1α,7aα-epoxydecahydro-2H-cyclopenta[a]pentalene-2-one,(3aR,3bβ,6aβ)-4β-Hydroxy-3aα,5,5-trimethyl-3-methylene-1α,7aα-epoxydecahydro-2H-cyclopenta[a]pentalene-2-one)

(3aR,3bβ,6aβ)-4β-Hydroxy-3aα,5,5-trimethyl-3-methylene-1α,7aα-epoxydecahydro-2H-cyclopenta[a]pentalene-2-one(80677-96-9)名称与标识符

名称

标识符

(3aR,3bβ,6aβ)-4β-Hydroxy-3aα,5,5-trimethyl-3-methylene-1α,7aα-epoxydecahydro-2H-cyclopenta[a]pentalene-2-one(80677-96-9)物化性质

计算特性

(3aR,3bβ,6aβ)-4β-Hydroxy-3aα,5,5-trimethyl-3-methylene-1α,7aα-epoxydecahydro-2H-cyclopenta[a]pentalene-2-one(80677-96-9)相关文献

目录