Cas no 150036-90-1 (2-O-Demethylthalimonine)
2-O-Demethylthalimonine structure
Product Name:2-O-Demethylthalimonine
CAS No:150036-90-1
MF:C20H21NO5
MW:355.384445905685
CID:6766773
Update Time:2024-03-03
2-O-Demethylthalimonine Chemical and Physical Properties
Names and Identifiers
-
- (-)-2-Demethylthalimonine
- 2-O-Demethylthalimonine
-
- Inchi： 1S/C20H21NO5/c1-21-14-4-10-5-17(23-2)18(24-3)8-11(10)15(21)6-13-12(14)7-16(22)20-19(13)25-9-26-20/h5,7-8,14-15,22H,4,6,9H2,1-3H3/t14-,15-/m1/s1
- InChI Key： ONEMAZREBSCOFF-HUUCEWRRSA-N
- SMILES： C12C=C(OC)C(OC)=CC=1C[C@H]1N(C)[C@@H]2CC2C3OCOC=3C(O)=CC1=2
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- XLogP3: 1.327
2-O-Demethylthalimonine Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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