Cas no 943967-92-8 (Chaetocyclinone A)
Chaetocyclinone A structure
Product Name:Chaetocyclinone A
CAS No:943967-92-8
MF:C17H16O8
MW:348.304145812988
CID:6644189
PubChem ID:16655650
Update Time:2024-02-05
Chaetocyclinone A Chemical and Physical Properties
Names and Identifiers
-
- DTXSID701043587
- methyl 6-hydroxy-1,7-dimethoxy-3-methyl-10-oxo-1H,10H-pyrano[4,3-b]chromene-9-carboxylate
- methyl 6-hydroxy-1,7-dimethoxy-3-methyl-10-oxo-1H,10H-pyrano[4,3-b][1]benzopyran-9-carboxylate
- Chaetocyclinone A
- 943967-92-8
- CHEBI:192346
-
- Inchi： 1S/C17H16O8/c1-7-5-9-12(17(23-4)24-7)14(19)11-8(16(20)22-3)6-10(21-2)13(18)15(11)25-9/h5-6,17-18H,1-4H3
- InChI Key： MUNKFZROFNVDJU-UHFFFAOYSA-N
- SMILES： O1C2C(=C(C=C(C(=O)OC)C=2C(C2=C1C=C(C)OC2OC)=O)OC)O
Computed Properties
- Exact Mass: 348.08451746g/mol
- Monoisotopic Mass: 348.08451746g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 637
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 101?2
Chaetocyclinone A Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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