Cas no 23924-91-6 (Ajmalicinine; 11-Methoxy)
Ajmalicinine; 11-Methoxy structure
Product Name:Ajmalicinine; 11-Methoxy
CAS No:23924-91-6
MF:C22H28N2O5
MW:400.468126296997
CID:263690
Update Time:2024-03-01
Ajmalicinine; 11-Methoxy Chemical and Physical Properties
Names and Identifiers
-
- Oxayohimban-16-carboxylicacid, 17-hydroxy-11-methoxy-19-methyl-, methyl ester, (16a,17b,19a)- (9CI)
- 4H-Indolo[2,3-a]pyrano[3,4-g]quinolizine, oxayohimban-16-carboxylic acidderiv.
- Tetraphyllinine(8CI)
- Tetraphyllinine
- CID 101297734
- Oxayohimban-16-carboxylic acid, 17-hydroxy-11-methoxy-19-methyl-, methyl ester, (16α,17β,19α)- (9CI)
- Ajmalicinine; 11-Methoxy
-
- Inchi： 1S/C22H28N2O5/c1-11-16-10-24-7-6-14-13-5-4-12(27-2)8-17(13)23-20(14)18(24)9-15(16)19(21(25)28-3)22(26)29-11/h4-5,8,11,15-16,18-19,22-23,26H,6-7,9-10H2,1-3H3/t11-,15-,16+,18-,19-,22+/m0/s1
- InChI Key： FJDXDMYSHIZPER-UHDOGEOTSA-N
- SMILES： O1[C@H]([C@H](C(=O)OC)[C@H]2C[C@H]3C4=C(C5C=CC(=CC=5N4)OC)CCN3C[C@@H]2[C@@H]1C)O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 29
- Rotatable Bond Count: 3
- Complexity: 632
- XLogP3: 2.6
- Topological Polar Surface Area: 84
Experimental Properties
- Density: 1.34±0.1 g/cm3(Predicted)
- Melting Point: 231-234 °C
- Boiling Point: 583.3±50.0 °C(Predicted)
- pka: 12.48±0.60(Predicted)
Ajmalicinine; 11-Methoxy Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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