Cas no 28789-23-3 (Alectorialic acid)
Alectorialic acid structure
Product Name:Alectorialic acid
CAS No:28789-23-3
MF:C18H16O9
MW:376.314246177673
CID:268080
Update Time:2024-02-29
Alectorialic acid Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid,3-formyl-2,4-dihydroxy-6-methyl-,(2-carboxy-3,5-dihydroxy-4-methylphenyl)methyl ester
- Alectorialic acid
- b-Resorcylic acid,6-(hydroxymethyl)-3-methyl-, 6-(2,4-dihydroxy-6-methylisophthalaldehydate)(8CI)
- Isophthalaldehydicacid, 2,4-dihydroxy-6-methyl-, 6-ester with 6-(hydroxymethyl)-3-methyl-b-resorcylic acid (8CI)
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- Inchi： 1S/C18H16O9/c1-7-3-12(21)10(5-19)16(23)13(7)18(26)27-6-9-4-11(20)8(2)15(22)14(9)17(24)25/h3-5,20-23H,6H2,1-2H3,(H,24,25)
- InChI Key： AUHQGXIVPHNDEE-UHFFFAOYSA-N
- SMILES： O(C(C1C(=C(C=O)C(=CC=1C)O)O)=O)CC1C=C(C(C)=C(C=1C(=O)O)O)O
Computed Properties
- Exact Mass: 376.079
- Monoisotopic Mass: 376.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 27
- Rotatable Bond Count: 6
- Complexity: 565
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 162
Alectorialic acid Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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