Cas no 102358-20-3 (Hetisan-13-ol (9CI))
Hetisan-13-ol (9CI) structure
Product Name:Hetisan-13-ol (9CI)
CAS No:102358-20-3
MF:C20H27NO
MW:297.434485673904
CID:223871
PubChem ID:128084
Update Time:2025-04-19
Hetisan-13-ol (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Hetisan-13-ol (9CI)
- Hetisan-13-ol
- spirasine XI
- 102358-20-3
- DTXSID10907399
- 5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-10-ol
-
- Inchi： 1S/C20H27NO/c1-10-7-19-8-12-16-18(2)4-3-5-20(16)13(19)6-11(10)15(22)14(19)17(20)21(12)9-18/h11-17,22H,1,3-9H2,2H3
- InChI Key： OFFBWNPYRULKDB-UHFFFAOYSA-N
- SMILES： OC1C2C(=C)CC34CC5C6C7(C)CCCC6(C3C2)C(C41)N5C7
Computed Properties
- Exact Mass: 297.20941
- Monoisotopic Mass: 297.209264485g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 644
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 10
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 23.5?2
Experimental Properties
- PSA: 23.47
Hetisan-13-ol (9CI) Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Villanovane, atisane, trachylobane or helvifulvane diterpenoids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Villanovane, atisane, trachylobane or helvifulvane diterpenoids
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