Cas no 92842-56-3 (Deoxyloganic acid)
Deoxyloganic acid structure
Product Name:Deoxyloganic acid
CAS No:92842-56-3
MF:C16H24O9
MW:360.356366157532
CID:2031415
PubChem ID:4490284
Update Time:2025-04-21
Deoxyloganic acid Chemical and Physical Properties
Names and Identifiers
-
- Deoxyloganic acid
- (1R,2S,6S,9S)-9-METHYL-2-[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY-3-OXABICYCLO[4.3.0]NON-4-ENE-5-CARBOXYLIC ACID
- B0005-477403
- 22487-36-1
- CHEBI:167915
- 7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
- 1,5,9-Epideoxyloganic acid
- PD158725
- 88668-99-9
- Deoxyloganic acid (Not validated)
- (4aR,7aR)-7-Methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[C]pyran-4-carboxylic acid
- 92842-56-3
- NDA66899
- 7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid
-
- Inchi： 1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)
- InChI Key： DSXFHNSGLYXPNG-UHFFFAOYSA-N
- SMILES： O(C1C(C(C(C(CO)O1)O)O)O)C1C2C(C)CCC2C(C(=O)O)=CO1
Computed Properties
- Exact Mass: 360.14203234g/mol
- Monoisotopic Mass: 360.14203234g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 536
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 9
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 146?2
Deoxyloganic acid Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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