Cas no 41655-13-4 (Karacolidine)
Karacolidine structure
Product Name:Karacolidine
CAS No:41655-13-4
MF:C22H35NO5
MW:393.517007112503
CID:2668093
Update Time:2024-03-04
Karacolidine Chemical and Physical Properties
Names and Identifiers
-
- (16S)-20-Ethyl-16-methoxy-4-methylaconitane-1α,8,10,14α-tetrol
- Karacolidine
-
- Inchi： 1S/C22H35NO5/c1-4-23-10-19(2)6-5-15(24)22-14(19)7-12(18(22)23)20(26)9-13(28-3)11-8-21(22,27)17(20)16(11)25/h11-18,24-27H,4-10H2,1-3H3/t11-,12+,13+,14-,15+,16+,17-,18-,19+,20+,21+,22+/m1/s1
- InChI Key： PFSQFYVYGQKXRF-KQKLYXCJSA-N
- SMILES： O[C@@]12C[C@@H]3[C@H](C[C@@]([C@H]1[C@H]3O)([C@H]1C[C@@H]3[C@@]4(C)CC[C@@H]([C@@]23[C@@H]1N(CC)C4)O)O)OC
Computed Properties
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 2
- Complexity: 719
- Topological Polar Surface Area: 93.4
Karacolidine Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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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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