Cas no 5035-27-8 (Pregna-1,4-diene-3,20-dione,11b-[(a-ethoxybenzyl)oxy]-17,21-dihydroxy-,cyclic acetal with benzaldehyde(8CI))
![Pregna-1,4-diene-3,20-dione,11b-[(a-ethoxybenzyl)oxy]-17,21-dihydroxy-,cyclic acetal with benzaldehyde(8CI) structure](https://ossimg.kuujia.com/scimg/5500/5035-27-8x500.png)
5035-27-8 structure
Product Name:Pregna-1,4-diene-3,20-dione,11b-[(a-ethoxybenzyl)oxy]-17,21-dihydroxy-,cyclic acetal with benzaldehyde(8CI)
Pregna-1,4-diene-3,20-dione,11b-[(a-ethoxybenzyl)oxy]-17,21-dihydroxy-,cyclic acetal with benzaldehyde(8CI) Chemical and Physical Properties
Names and Identifiers
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- Pregna-1,4-diene-3,20-dione,11b-[(a-ethoxybenzyl)oxy]-17,21-dihydroxy-,cyclic acetal with benzaldehyde(8CI)
- SCHEMBL9691001
- 6941-10-2
- 1-cyclohexyl-2-methylbut-3-yn-2-ol
- NSC-60449
- DTXSID40964632
- NSC60449
- 5035-27-8
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- Inchi： 1S/C11H18O/c1-3-11(2,12)9-10-7-5-4-6-8-10/h1,10,12H,4-9H2,2H3
- InChI Key： RRNGHMGNTNAULY-UHFFFAOYSA-N
- SMILES： OC(C#C)(C)CC1CCCCC1
Computed Properties
- Exact Mass: 166.135765193g/mol
- Monoisotopic Mass: 166.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 182
- 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: 3
- Topological Polar Surface Area: 20.2?2
Pregna-1,4-diene-3,20-dione,11b-[(a-ethoxybenzyl)oxy]-17,21-dihydroxy-,cyclic acetal with benzaldehyde(8CI) Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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5. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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