Cas no 171828-79-8 (Elatoside J)
Elatoside J structure
Product Name:Elatoside J
CAS No:171828-79-8
MF:C48H78O19
MW:959.121537685394
CID:218990
PubChem ID:177239
Update Time:2024-03-01
Elatoside J Chemical and Physical Properties
Names and Identifiers
-
- 10-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropi
- 3)]-b-D-glucopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI)
- Elatoside J
- Congmuyenoside A
- Congmuyenosides A
- DTXSID70938048
- 3-{[Hexopyranosyl-(1->2)-[hexopyranosyl-(1->3)]hexopyranosyl]oxy}-23-hydroxyolean-12-en-28-oato(4-)
- Olean-12-en-28-oic acid, 3-((O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-beta-D-glucopyranosyl)oxy)-23-hydroxy-, (3beta,4alpha)-
- 10-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
- 171828-79-8
-
- Inchi： 1S/C48H78O19/c1-43(2)13-15-48(42(60)61)16-14-46(5)22(23(48)17-43)7-8-28-44(3)11-10-29(45(4,21-52)27(44)9-12-47(28,46)6)65-41-38(67-40-36(59)34(57)31(54)25(19-50)63-40)37(32(55)26(20-51)64-41)66-39-35(58)33(56)30(53)24(18-49)62-39/h7,23-41,49-59H,8-21H2,1-6H3,(H,60,61)
- InChI Key： IIJRVKCBZJDXQK-UHFFFAOYSA-N
- SMILES： O(C1C(C(C(C(CO)O1)O)OC1C(C(C(C(CO)O1)O)O)O)OC1C(C(C(C(CO)O1)O)O)O)C1CCC2(C)C(CCC3(C)C4(C)CCC5(C(=O)O)CCC(C)(C)CC5C4=CCC32)C1(C)CO
Computed Properties
- Exact Mass: 958.51373025g/mol
- Monoisotopic Mass: 958.51373025g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 12
- Hydrogen Bond Acceptor Count: 19
- Heavy Atom Count: 67
- Rotatable Bond Count: 11
- Complexity: 1820
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 24
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 315
- XLogP3: 1.5
Elatoside J Related Literature
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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