Cas no 146293-93-8 (kahukuene A)
kahukuene A structure
Product Name:kahukuene A
CAS No:146293-93-8
MF:C20H31BrO2
MW:383.362945795059
CID:200761
PubChem ID:118987282
Update Time:2024-02-29
kahukuene A Chemical and Physical Properties
Names and Identifiers
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- 6H-2,5a-Methanonaphth[2,3-b]oxepin-7-ol,10-bromododecahydro-7,10a,12,12-tetramethyl-5-methylene-,(2R,5aS,6aR,7S,10R,10aR,11aS)-rel-(+)- (9CI)
- 6H-2,5a-Methanonaphth[2,3-b]oxepin-7-ol,10-bromododecahydro-7,10a,12,12-tetramethyl-5-methylen...
- (2R,6aR,7S,10R,10aR,11aS)-10-bromo-7,10a,12,12-tetramethyl-5-methylidenedodecahydro-6H-2,5a-methanonaphtho[2,3-b]oxepin-7-ol
- Kahukuene A
- CID 118987282
- 6H-2,5a-Methanonaphth[2,3-b]oxepin-7-ol, 10-bromododecahydro-7,10a,12,12-tetramethyl-5-methylene-, (2R,5aS,6aR,7S,10R,10aR,11aS)-rel-(+)- (9CI)
- DTXSID80932810
- 146293-93-8
- 10-Bromo-7,10a,12,12-tetramethyl-5-methylidenedodecahydro-6H-2,5a-methanonaphtho[2,3-b]oxepin-7-ol
- AKOS040752229
- kahukuene A
-
- Inchi： 1S/C20H31BrO2/c1-12-6-7-15-17(2,3)20(12)10-13-18(4,11-16(20)23-15)14(21)8-9-19(13,5)22/h13-16,22H,1,6-11H2,2-5H3/t13-,14-,15?,16+,18-,19+,20?/m1/s1
- InChI Key： BEXLYUHLQNOFOD-ZEQAFYBZSA-N
- SMILES： Br[C@@H]1CC[C@@](C)([C@@H]2CC34C(=C)CCC(C3(C)C)O[C@H]4C[C@]21C)O
Computed Properties
- Exact Mass: 382.15074g/mol
- Monoisotopic Mass: 382.15074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 0
- Complexity: 558
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29.5
- XLogP3: 4.4
Experimental Properties
- Density: 1.28±0.1 g/cm3(Predicted)
- Boiling Point: 440.0±45.0 °C(Predicted)
- pka: 14.54±0.70(Predicted)
kahukuene A Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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