Cas no 72542-43-9 (Tabetnaelegantinine D)
Tabetnaelegantinine D structure
Product Name:Tabetnaelegantinine D
CAS No:72542-43-9
MF:C44H53N5O5
MW:731.922131299973
CID:2037837
Update Time:2025-03-11
Tabetnaelegantinine D Chemical and Physical Properties
Names and Identifiers
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- Tabetnaelegantinine D
- Ibogamine-18-carboxylic acid, 19-cyano-12-[(3α,20α)-19,20-dihydro-17-methoxy-17-oxovobasan-3-yl]-13-methoxy-, methyl ester, (19S)- (9CI)
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- Inchi： 1S/C44H53N5O5/c1-7-23-15-25-20-44(43(51)54-6)40-27(13-14-49(41(23)44)36(25)21-45)29-17-30(37(52-4)19-34(29)47-40)31-16-28-24(8-2)22-48(3)35(38(28)42(50)53-5)18-32-26-11-9-10-12-33(26)46-39(31)32/h9-12,17,19,23-25,28,31,35-36,38,41,46-47H,7-8,13-16,18,20,22H2,1-6H3
- InChI Key： ZEUGDSIUPDBHFR-UHFFFAOYSA-N
- SMILES： CCC1C2C(C(CC3C4C(=CC=CC=4)NC=3C(C3=C(OC)C=C4C(C5=C(N4)C4(C(OC)=O)CC6CC(C4N(C6C#N)CC5)CC)=C3)C2)N(C)C1)C(OC)=O
Experimental Properties
- Density: 1.31±0.1 g/cm3(Predicted)
- pka: 16.31±0.70(Predicted)
Tabetnaelegantinine D Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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