Cas no 32337-26-1 (Roxburghonic acid)
Roxburghonic acid structure
Product Name:Roxburghonic acid
CAS No:32337-26-1
MF:C30H48O3
MW:456.700329780579
CID:2059903
Update Time:2025-04-21
Roxburghonic acid Chemical and Physical Properties
Names and Identifiers
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- Roxburghonic acid
-
- Inchi： 1S/C30H48O3/c1-19-20(31)8-9-21-27(19,5)11-10-22-28(6)15-14-26(4)13-12-25(2,3)18-23(26)29(28,7)16-17-30(21,22)24(32)33/h19,21-23H,8-18H2,1-7H3,(H,32,33)
- InChI Key： RHQBPWKEWAZARI-UHFFFAOYSA-N
- SMILES： CC1C2(CCC3C(C2CCC1=O)(C(=O)O)CCC1(C3(CCC2(C1CC(C)(C)CC2)C)C)C)C
Computed Properties
- Exact Mass: 456.36
- Monoisotopic Mass: 456.36
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 33
- Rotatable Bond Count: 1
- Complexity: 876
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 54.4A^2
Roxburghonic acid Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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