Cas no 959634-76-5 (12-methoxycitromycetin)
12-methoxycitromycetin structure
Product Name:12-methoxycitromycetin
CAS No:959634-76-5
MF:C15H12O7
MW:304.251585006714
CID:2059701
PubChem ID:24179499
Update Time:2025-04-21
12-methoxycitromycetin Chemical and Physical Properties
Names and Identifiers
-
- 12-methoxycitromycetin
- 8-Hydroxy-9-methoxy-2-methyl-4-oxo-4H,5H-pyrano[3,2-c]chromene-10-carboxylate
- 959634-76-5
- CHEBI:224472
- 8-hydroxy-9-methoxy-2-methyl-4-oxo-5H-pyrano(3,2-c)chromene-10-carboxylic acid
- 8-Hydroxy-9-methoxy-2-methyl-4-oxo-4H,5H-pyrano(3,2-c)chromene-10-carboxylate
- 8-hydroxy-9-methoxy-2-methyl-4-oxo-5H-pyrano[3,2-c]chromene-10-carboxylic acid
-
- Inchi： 1S/C15H12O7/c1-6-3-8(16)7-5-21-10-4-9(17)14(20-2)12(15(18)19)11(10)13(7)22-6/h3-4,17H,5H2,1-2H3,(H,18,19)
- InChI Key： KGDIQNMCQSCZLF-UHFFFAOYSA-N
- SMILES： COC1C(C(=O)O)=C2C(OCC3C(=O)C=C(C)OC=32)=CC=1O
Computed Properties
- Exact Mass: 304.05830272Da
- Monoisotopic Mass: 304.05830272Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 576
- 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
- XLogP3: 0.531
- Topological Polar Surface Area: 102?2
12-methoxycitromycetin Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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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
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