Cas no 65180-55-4 ((22ξ,25ξ)-3,3-Dimethoxy-16,28-secosolanidane)
65180-55-4 structure
Product Name:(22ξ,25ξ)-3,3-Dimethoxy-16,28-secosolanidane
CAS No:65180-55-4
MF:C29H51NO2
MW:445.720749139786
CID:523236
Update Time:2024-03-01
(22ξ,25ξ)-3,3-Dimethoxy-16,28-secosolanidane Chemical and Physical Properties
Names and Identifiers
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- Piperidine,2-[(20S)-3,3-dimethoxypregnan-20-yl]-5-methyl- (9CI)
- (22ξ,25ξ)-3,3-Dimethoxy-16,28-secosolanidane
- 16,28-Secosolanidane,3,3-dimethoxy-, (22x,25x)-
- Solaquidine
- CID 101967110
- Piperidine, 2-[(20S)-3,3-dimethoxypregnan-20-yl]-5-methyl- (9CI)
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- Inchi： 1S/C29H51NO2/c1-19-7-12-26(30-18-19)20(2)23-10-11-24-22-9-8-21-17-29(31-5,32-6)16-15-27(21,3)25(22)13-14-28(23,24)4/h19-26,30H,7-18H2,1-6H3/t19?,20-,21?,22-,23+,24-,25-,26?,27-,28+/m0/s1
- InChI Key： DBJXVOKDPYNCEC-CFMOPBSISA-N
- SMILES： O(C)C1(CC[C@@]2(C)C(C1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)C3CCC(C)CN3)CC[C@H]21)OC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 32
- Rotatable Bond Count: 4
- Complexity: 676
- Topological Polar Surface Area: 30.5
(22ξ,25ξ)-3,3-Dimethoxy-16,28-secosolanidane Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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