Cas no 175478-70-3 (Ervahanine A; 19,20-Dihydro)
Ervahanine A; 19,20-Dihydro structure
Product Name:Ervahanine A; 19,20-Dihydro
CAS No:175478-70-3
MF:C42H52N4O4
MW:676.886691093445
CID:6774117
Update Time:2024-03-06
Ervahanine A; 19,20-Dihydro Chemical and Physical Properties
Names and Identifiers
-
- Ibogamine-18-carboxylic acid, 13-[(2S,5S,6S,8R,14S)-5-ethyl-2,3,4,5,6,7,8,9-octahydro-14-(methoxycarbonyl)-3-methyl-2,6-methano-1H-azecino[5,4-b]indol-8-yl]-, methyl ester
- Ervahanine A; 19,20-Dihydro
-
- Inchi： 1S/C42H52N4O4/c1-7-23(3)31-21-42(37-30(27-11-9-10-12-32(27)43-37)19-34(45(42)4)35(31)39(47)49-5)26-13-14-28-29-15-16-46-22-24-17-25(8-2)38(46)41(20-24,40(48)50-6)36(29)44-33(28)18-26/h9-14,18,23-25,31,34-35,38,43-44H,7-8,15-17,19-22H2,1-6H3
- InChI Key： MGPMYOLUYKMUER-UHFFFAOYSA-N
- SMILES： CCC(C1C(C(OC)=O)C2CC3C4C(=CC=CC=4)NC=3C(C3C=C4C(C5=C(N4)C4(C(OC)=O)CC6CC(C4N(C6)CC5)CC)=CC=3)(N2C)C1)C
Experimental Properties
- Density: 1.29±0.1 g/cm3(Predicted)
- pka: 16.87±0.60(Predicted)
Ervahanine A; 19,20-Dihydro Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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