Cas no 271579-12-5 (Thonningianin B)
Thonningianin B structure
Product Name:Thonningianin B
CAS No:271579-12-5
MF:C35H30O17
MW:722.602511882782
CID:4551593
PubChem ID:511659
Update Time:2024-11-06
Thonningianin B Chemical and Physical Properties
Names and Identifiers
-
- Thonningianin B
- 1-Propanone, 1-[4-[[4,6-O-[[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-diyl]dicarbonyl]-β-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-phenyl-
- 13-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione
- SCH 644342
- 13-[3, 5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3, 4, 5, 11, 12, 21, 22, 23-octahydroxy-9, 14, 17-trioxatetracyclo[17.4.0.02, 7.010, 15]tricosa-1(23), 2, 4, 6, 19, 21-hexaene-8, 18-dione
- 1-Propanone, 1-[4-[[4,6-O-[[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-diyl]dicarbonyl]-beta-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-phenyl-
- DTXSID901100353
- AKOS040760825
- [3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-octahydroxy-[?]dione
- 1-[4-[[4,6-O-[[(1S)-4,4',5,5',6,6'-Hexahydroxy[1,1'-biphenyl]-2,2'-diyl]dicarbonyl]-beta-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-phenyl-1-propanone
- 271579-12-5
- 607391-94-6
- LMPK12120466
- 1-Propanone, 1-(4-((4,6-O-((4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-diyl)dicarbonyl)hexopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-phenyl-
- Dibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-9,17-dione, 13-[3,5-dihydroxy-4-(1-oxo-3-phenylpropyl)phenoxy]-11,11a,13,14,15,15a-hexahydro-2,3,4,5,6,7,14,15-octahydroxy-
- SCH-644342
- DA-78438
- 1-[4-[[4,6-O-[[(1S)-4,4a(2),5,5a(2),6,6a(2)-Hexahydroxy[1,1a(2)-biphenyl]-2,2a(2)-diyl]dicarbonyl]-I(2)-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-phenyl-1-propanone
-
- Inchi: 1S/C35H30O17/c36-17(7-6-13-4-2-1-3-5-13)25-18(37)8-14(9-19(25)38)50-35-31(46)30(45)32-22(51-35)12-49-33(47)15-10-20(39)26(41)28(43)23(15)24-16(34(48)52-32)11-21(40)27(42)29(24)44/h1-5,8-11,22,30-32,35,37-46H,6-7,12H2
- InChI Key: UJNCWORGHSATHA-UHFFFAOYSA-N
- SMILES: OC1C(=C(O)C=C2C(OC3C(C(O)C(OC4C=C(O)C(C(=O)CCC5C=CC=CC=5)=C(O)C=4)OC3COC(=O)C3=CC(O)=C(O)C(O)=C3C=12)O)=O)O
Computed Properties
- Exact Mass: 722.14829948g/mol
- Monoisotopic Mass: 722.14829948g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 10
- Hydrogen Bond Acceptor Count: 17
- Heavy Atom Count: 52
- Rotatable Bond Count: 6
- Complexity: 1250
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 290?2
Thonningianin B Pricemore >>
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1-Propanone, 1-[4-[[4,6-O-[[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl]dicarbonyl]-β-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-phenyl- |
271579-12-5 | 99% | 1mg |
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| 1PlusChem | 1P01RIA9-5mg |
1-Propanone, 1-[4-[[4,6-O-[[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl]dicarbonyl]-β-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-phenyl- |
271579-12-5 | 99% | 5mg |
$313.00 | 2024-05-08 | |
| 1PlusChem | 1P01RIA9-10mg |
1-Propanone, 1-[4-[[4,6-O-[[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl]dicarbonyl]-β-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-phenyl- |
271579-12-5 | 99% | 10mg |
$506.00 | 2024-05-08 |
Thonningianin B Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
-
Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
-
5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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