Cas no 96839-31-5 (Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-7-hydroxy-6-(hydroxymethyl)-1-methyl-)
96839-31-5 structure
Product Name:Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-7-hydroxy-6-(hydroxymethyl)-1-methyl-
CAS No:96839-31-5
MF:C18H16O5
MW:312.316645622253
CID:1002059
PubChem ID:126073
Update Time:2024-03-01
Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-7-hydroxy-6-(hydroxymethyl)-1-methyl- Chemical and Physical Properties
Names and Identifiers
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- przewaquinone F
- 7-hydroxy-6-(hydroxymethyl)-1-methyl-6,7,8,9-tetrahydronaphtho[1,2-g][1]benzofuran-10,11-dione
- Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-7-hydroxy-6-(hydroxymethyl)-1-methyl-
-
- Inchi： 1S/C18H16O5/c1-8-7-23-18-11-3-2-9-10(4-5-13(20)12(9)6-19)15(11)17(22)16(21)14(8)18/h2-3,7,12-13,19-20H,4-6H2,1H3
- InChI Key： OUFIJYAHFBAFBX-UHFFFAOYSA-N
- SMILES： OC1CCC2C3C(C(C4C(C)=COC=4C=3C=CC=2C1CO)=O)=O
Computed Properties
- Exact Mass: 312.09977361g/mol
- Monoisotopic Mass: 312.09977361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 518
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 87.7
- XLogP3: 1.8
Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-7-hydroxy-6-(hydroxymethyl)-1-methyl- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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