Cas no 162382-65-2 (Prostratol E)
Prostratol E structure
Product Name:Prostratol E
CAS No:162382-65-2
MF:C26H30O4
MW:406.514008045197
CID:200722
Update Time:2024-03-01
Prostratol E Chemical and Physical Properties
Names and Identifiers
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- 6H-Benzofuro[3,2-c][1]benzopyran-3-ol,8-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-6a,11a-dihydro-9-methoxy-, (6aR,11aR)-
- 6H-Benzofuro[3,2-c][1]benzopyran-3-ol,8-(3,7-dimethyl-2,6-octadienyl)-6a,11a-dihydro-9-methoxy-, [6aR-[6aa,8(E),11aa]]-
- 6H-Benzofuro[3,2-c][1]benzopyran-3-ol,8-[(2E)-3,7-dimethyl-2,6-octadienyl]-6a,11a-dihydro-9-methoxy-, (6aR,11aR)-(9CI)
- Prostratol E
- CID 101915971
- 6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 8-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-6a,11a-dihydro-9-methoxy-, (6aR,11aR)-
- (6aR,11aR)-3-Hydroxy-9-methoxy-8-((2E)-3,7-dimethyl-2,6-octadienhyl)pterocarpan
-
- Inchi： 1S/C26H30O4/c1-16(2)6-5-7-17(3)8-9-18-12-21-22-15-29-24-13-19(27)10-11-20(24)26(22)30-25(21)14-23(18)28-4/h6,8,10-14,22,26-27H,5,7,9,15H2,1-4H3/b17-8+/t22-,26-/m0/s1
- InChI Key： RQUGKUQXWLYLSN-PUQADGDBSA-N
- SMILES： O1C2C=C(C(C/C=C(\C)/CC/C=C(\C)/C)=CC=2[C@@H]2COC3C=C(C=CC=3[C@H]12)O)OC
Computed Properties
- Exact Mass: 406.214
- Monoisotopic Mass: 406.214
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 30
- Rotatable Bond Count: 6
- Complexity: 637
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 47.9
- XLogP3: 4.923
Experimental Properties
- Density: 1.140±0.06 g/cm3(Predicted)
- Boiling Point: 545.2±50.0 °C(Predicted)
- pka: 9.50±0.20(Predicted)
Prostratol E Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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5. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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