Cas no 5986-54-9 ((-)-patchoulenone)
(-)-patchoulenone structure
Product Name:(-)-patchoulenone
CAS No:5986-54-9
MF:C15H22O
MW:218.334584712982
CID:2018424
PubChem ID:10998497
Update Time:2025-04-21
(-)-patchoulenone Chemical and Physical Properties
Names and Identifiers
-
- (-)-patchoulenone
- Patchoulenon
- Patchoulenone
- [3aR,(-)]-2,3,4,5,6,7-Hexahydro-1,4α,9,9-tetramethyl-8H-3a,7β-methanoazulene-8-one
- 4,10,11,11-tetramethyltricyclo[5.3.1.0^{1,5}]undec-4-en-6-one
- 4-Patchoulen-6-one
- Narucinone
- 8-Oxocyperene
- 5986-54-9
- (5S,8R,8aR)-1,2,5,6,7,8-Hexahydro-3,8,9,9-tetramethyl-4H-5,8a-methanoazulen-4-one
- DTXSID001132236
- JAWSHISYWRRQQQ-HFAKWTLXSA-N
-
- Inchi： 1S/C15H22O/c1-9-7-8-15-10(2)5-6-11(14(15,3)4)13(16)12(9)15/h10-11H,5-8H2,1-4H3/t10-,11-,15+/m1/s1
- InChI Key： JAWSHISYWRRQQQ-HFAKWTLXSA-N
- SMILES： O=C1C2=C(C)CC[C@@]32[C@H](C)CC[C@H]1C3(C)C
Computed Properties
- Exact Mass: 218.167065321g/mol
- Monoisotopic Mass: 218.167065321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 402
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 17.1?2
(-)-patchoulenone Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Sesquiterpenoids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids
- Natural Products and Extracts Plant Extracts Plant based Piptostigma fugax
- Sesquiterpenoids
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