Cas no 72994-86-6 (convolicine)
convolicine structure
Product Name:convolicine
CAS No:72994-86-6
MF:C18H23NO5
MW:333.378925561905
CID:2050160
PubChem ID:3788763
Update Time:2025-04-21
convolicine Chemical and Physical Properties
Names and Identifiers
-
- convolicine
- DTXSID501345715
- AKOS001659568
- HZEOENYXYFFKIU-UHFFFAOYSA-N
- (8-acetyl-8-azabicyclo[3.2.1]octan-3-yl) 3,4-dimethoxybenzoate
- 3,4-Dimethoxy-benzoic acid 8-acetyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
- SR-01000081801-1
- MFCD03803741
- SR-01000081801
- 72994-86-6
-
- Inchi： 1S/C18H23NO5/c1-11(20)19-13-5-6-14(19)10-15(9-13)24-18(21)12-4-7-16(22-2)17(8-12)23-3/h4,7-8,13-15H,5-6,9-10H2,1-3H3
- InChI Key： HZEOENYXYFFKIU-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=C(C=1)OC)OC)=O)C1CC2CCC(C1)N2C(C)=O
Computed Properties
- Exact Mass: 333.15762283g/mol
- Monoisotopic Mass: 333.15762283g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 468
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 65.1?2
convolicine Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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