Cas no 18409-93-3 (1,2-dihydro-α-santonin)
1,2-dihydro-α-santonin structure
Product Name:1,2-dihydro-α-santonin
1,2-dihydro-α-santonin Chemical and Physical Properties
Names and Identifiers
-
- Naphtho[1,2-b]furan-2,8(3H,4H)-dione,3a,5,5a,6,7,9b-hexahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bS)-
- (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,6,7,9b-hexahydro-3H-benzo[g][1]benzofuran-2,8-dione
- 1,2-dihydro-alpha-santonin
- (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,5,5a,6,7,9b-hexahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
- 1,2-Dihydrosantonin
- Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,6,7,9b-hexahydro-3,5a,9-trimethyl-, (3S-(3alpha,3aalpha,5abeta,9bbeta))-
- Dihydro-α-santonin
- 1,2-Dihydro-α-santonin
- (3S)-3β,5aα,9-Trimethyl-3aβ,5,5a,6,7,9bα-hexahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
- (3S)-3aβ,5,5a,6,7,9bα-Hexahydro-3β,5aα,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione
- (3S)-3,3aβ,4,5α,5a,6α,7α,9bα-Octahydro-3β,5aα,9-trimethylnaphtho[1,2-b]furan-2,8-dione
- (1S,αS)-1,2,3,4,4a,5,6,7-Octahydro-1β-hydroxy-α,4aα,8-trimethyl-7-oxo-2α-naphthaleneacetic acid γ-lactone
- C02771
- InChI=1/C15H20O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h8,10,13H,4-7H2,1-3H3/t8-,10-,13-,15-/m0/s1
- dihydrosantonin
- CHEBI:16850
- TYHGCPJCCQBRMP-BOCCBSBMSA-
- Q27102109
- (+)-1,2-dihydro-alpha-santonin
- 3,5a,9-Trimethyl-3a,5,5a,6,7,9b-hexahydronaphtho[1,2-b]furan-2,8(3H,4H)-dionato
- (+)-dihydro-alpha-santonin
- 18409-93-3
- DTXSID90939794
- 1,2-dihydro-α-santonin
-
- Inchi： 1S/C15H20O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h8,10,13H,4-7H2,1-3H3/t8-,10-,13-,15-/m0/s1
- InChI Key： TYHGCPJCCQBRMP-BOCCBSBMSA-N
- SMILES： O1C([C@@H](C)[C@]2([H])CC[C@@]3(C)CCC(C(C)=C3[C@@]12[H])=O)=O
Computed Properties
- Exact Mass: 248.1413
- Monoisotopic Mass: 248.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 462
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
1,2-dihydro-α-santonin Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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