Cas no 17413-41-1 (Aristololactam-glucoside)
Aristololactam-glucoside structure
Product Name:Aristololactam-glucoside
CAS No:17413-41-1
MF:C23H21NO9
MW:455.414147138596
CID:156463
Update Time:2024-02-29
Aristololactam-glucoside Chemical and Physical Properties
Names and Identifiers
-
- Benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one,6-b-D-glucopyranosyl-8-methoxy-
- aristololactam-glucoside
- 6-(alpha-D-glucopyranosyl)-8-methoxy[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6H)-one
- ARISTOLACTAM-N-BETA-D-GLUCOSIDE
- N-Glucosylaristololactam
- Aristololactam-β-D-glucoside
- Aristololactam I N-glucoside
- 8-Methoxy-6-β-D-glucopyranosylbenzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one
- 6-β-D-Glucopyranosyl-8-methoxybenzo[f]-1,3-benzodioxolo[6,5,4-cd]indole-5(6H)-one
- 2-(β-D-Glucopyranosyl)-12-methoxy-4,5-[1,3]butadieno-6,7-(methylenebisoxy)-2-azaacenaphthylene-1(2H)-one
- Aristolactam-N-beta-D-glycoside
- Benzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)-one, 6-beta-D-glucopyranosyl-8-methoxy-
- Aristololactam-glucoside
-
- Inchi： 1S/C23H21NO9/c1-30-13-4-2-3-9-10(13)5-12-16-11(6-14-21(17(9)16)32-8-31-14)22(29)24(12)23-20(28)19(27)18(26)15(7-25)33-23/h2-6,15,18-20,23,25-28H,7-8H2,1H3/t15-,18-,19+,20-,23+/m1/s1
- InChI Key： GIDCUQKCIZAUKW-AUJACXKFSA-N
- SMILES： O1[C@H](CO)[C@H]([C@@H]([C@H]([C@H]1N1C(C2C=C3C(=C4C5C=CC=C(C=5C=C1C=24)OC)OCO3)=O)O)O)O
Computed Properties
- Exact Mass: 455.122
- Monoisotopic Mass: 455.122
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 33
- Rotatable Bond Count: 3
- Complexity: 768
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 138
- XLogP3: -0.291
Experimental Properties
- Density: 1.671
- Boiling Point: 814.4°Cat760mmHg
- Flash Point: 446.3°C
- Refractive Index: 1.787
Aristololactam-glucoside Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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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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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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