Cas no 124168-00-9 (Jioglutoside B)
Jioglutoside B structure
Product Name:Jioglutoside B
CAS No:124168-00-9
MF:C23H34O13
MW:518.50826883316
CID:236215
Update Time:2023-11-19
Jioglutoside B Chemical and Physical Properties
Names and Identifiers
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- Cyclopenta[c]pyran-4-carboxylicacid, 1-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-methylene-,methyl ester, (1S,4aS,7aS)-
- Cyclopenta[c]pyran-4-carboxylicacid, 1-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-m
- Cyclopenta[c]pyran-4-carboxylicacid, 1-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-methylene-,methyl ester, [1S-(1a,4aa,7aa)]-
- Jioglutoside B
- CID 138107975
- Cyclopenta[c]pyran-4-carboxylic acid, 1-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-methylene-, methyl ester, (1S,4aS,7aS)-
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- Inchi： 1S/C23H34O13/c1-8-4-5-10-11(20(30)31-3)6-32-21(13(8)10)36-23-19(29)17(27)15(25)12(35-23)7-33-22-18(28)16(26)14(24)9(2)34-22/h6,9-10,12-19,21-29H,1,4-5,7H2,2-3H3/t9?,10-,12?,13+,14?,15?,16?,17?,18?,19?,21?,22?,23?/m0/s1
- InChI Key： LOPVRRKXBOZTKE-CIWZTNOZSA-N
- SMILES： O(C1C(C(C(C(COC2C(C(C(C(C)O2)O)O)O)O1)O)O)O)C1[C@@H]2C(=C)CC[C@H]2C(C(=O)OC)=CO1
Computed Properties
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 36
- Rotatable Bond Count: 7
- Complexity: 848
- Topological Polar Surface Area: 194
Experimental Properties
- Density: 1.50±0.1 g/cm3(Predicted)
- Boiling Point: 732.0±60.0 °C(Predicted)
- pka: 12.77±0.70(Predicted)
Jioglutoside B Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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