Cas no 34323-09-6 (7beta Acetoxy vonacapan)
7beta Acetoxy vonacapan structure
Product Name:7beta Acetoxy vonacapan
CAS No:34323-09-6
MF:C22H32O3
MW:344.487687110901
CID:1997742
Update Time:2025-04-21
7beta Acetoxy vonacapan Chemical and Physical Properties
Names and Identifiers
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- 7beta Acetoxy vonacapan
-
- Inchi： 1S/C22H32O3/c1-13-15-7-10-24-17(15)11-16-20(13)18(25-14(2)23)12-19-21(3,4)8-6-9-22(16,19)5/h7,10,13,16,18-20H,6,8-9,11-12H2,1-5H3
- InChI Key： RINKJBMSKXPWBE-UHFFFAOYSA-N
- SMILES： CC1C2=C(OC=C2)CC2C1C(OC(=O)C)CC1C2(C)CCCC1(C)C
Computed Properties
- Exact Mass: 344.235
- Monoisotopic Mass: 344.235
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 2
- Complexity: 541
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 39.4A^2
7beta Acetoxy vonacapan Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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