Cas no 82380-21-0 (Maesanin)
Maesanin structure
Product Name:Maesanin
CAS No:82380-21-0
MF:C22H34O4
MW:362.502967357636
CID:987725
PubChem ID:5384838
Update Time:2024-03-01
Maesanin Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-(10-pentadecenyl)- , (Z)-
- 2-hydroxy-5-methoxy-3-[(Z)-pentadec-10-enyl]cyclohexa-2,5-diene-1,4-dione
- Maesanin
- Synthetic Maesanin
- NSC633676
- Maesanin from Maesa Lanceolata
- NSC367310
- 82380-21-0
- SCHEMBL5179329
- CHEMBL14251
- NSC-367310
- AKOS040752913
- NSC-633676
- 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-(10-pentadecenyl)-, (Z)-
-
- Inchi: 1S/C22H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(26-2)22(18)25/h6-7,17,24H,3-5,8-16H2,1-2H3/b7-6-
- InChI Key: WVHQJXPRVZBEFP-SREVYHEPSA-N
- SMILES: OC1C(C=C(C(C=1CCCCCCCCC/C=C\CCCC)=O)OC)=O
Computed Properties
- Exact Mass: 362.24570956g/mol
- Monoisotopic Mass: 362.24570956g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 14
- Complexity: 540
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.6
- XLogP3: 7
Maesanin Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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