Cas no 28999-86-2 (2H-2,5-Ethano-1H-indolizino[8a,1-b]indol-5-ium, 3-ethylidene-3,4,6,7,7a,12-hexahydro-7a-hydroxy-, (2S,3E,5R,7aR,12aS)- (9CI))
![2H-2,5-Ethano-1H-indolizino[8a,1-b]indol-5-ium, 3-ethylidene-3,4,6,7,7a,12-hexahydro-7a-hydroxy-, (2S,3E,5R,7aR,12aS)- (9CI) structure](https://ossimg.kuujia.com/scimg/29000/28999-86-2x500.png)
28999-86-2 structure
Product Name:2H-2,5-Ethano-1H-indolizino[8a,1-b]indol-5-ium, 3-ethylidene-3,4,6,7,7a,12-hexahydro-7a-hydroxy-, (2S,3E,5R,7aR,12aS)- (9CI)
CAS No:28999-86-2
MF:C18H23N2O
MW:283.388024568558
CID:288129
Update Time:2024-03-01
2H-2,5-Ethano-1H-indolizino[8a,1-b]indol-5-ium, 3-ethylidene-3,4,6,7,7a,12-hexahydro-7a-hydroxy-, (2S,3E,5R,7aR,12aS)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2H-2,5-Ethano-1H-indolizino[8a,1-b]indol-5-ium,3-ethylidene-3,4,6,7,7a,12-hexahydro-7a-hydroxy-, (2S,3E,5R,7aR,12aS)- (9CI)
- [2S-(2a,3E,5a,7aa,12aR*)]-3-Ethylidene-3,4,6,7,7a,12-hexahydro-7a-hydroxy-2H-2,5-ethano-1H-indolizino[8a,1-b]indol-5-ium
- 2H-2,5-Ethano-1H-indolizino[8a,1-b]indol-5-ium,3-ethylidene-3,4,6,7,7a,12-hexahydro-7a-hydroxy-, [2S-(2a,3E,5a,7aa,12aR*)]-
- Hunteracine
- CID 102059873
- 2H-2,5-Ethano-1H-indolizino[8a,1-b]indol-5-ium, 3-ethylidene-3,4,6,7,7a,12-hexahydro-7a-hydroxy-, (2S,3E,5R,7aR,12aS)- (9CI)
-
- Inchi： 1S/C18H23N2O/c1-2-13-12-20-9-7-14(13)11-18(20)17(21,8-10-20)15-5-3-4-6-16(15)19-18/h2-6,14,19,21H,7-12H2,1H3/q+1/b13-2+/t14-,17-,18+,20+/m0/s1
- InChI Key： BNSIQHPLNBBXLR-AQKZSBLQSA-N
- SMILES： O[C@@]12C3C=CC=CC=3N[C@]31C[C@H]1/C(=C/C)/C[N@@+]3(CC1)CC2
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 517
- Topological Polar Surface Area: 32.299
2H-2,5-Ethano-1H-indolizino[8a,1-b]indol-5-ium, 3-ethylidene-3,4,6,7,7a,12-hexahydro-7a-hydroxy-, (2S,3E,5R,7aR,12aS)- (9CI) Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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