Cas no 142905-26-8 (Tuberostemospironine)
Tuberostemospironine structure
Product Name:Tuberostemospironine
CAS No:142905-26-8
MF:C13H19NO4
MW:253.29426407814
CID:205503
Update Time:2024-03-01
Tuberostemospironine Chemical and Physical Properties
Names and Identifiers
-
- Spiro[furan-2(5H),9'-[9H]pyrrolo[1,2-a]azepine]-3',5(2'H)-dione,octahydro-3-hydroxy-4-methyl-, (2S,3S,4S,9'aS)-
- (-)-Tuberostemospironine
- Spiro[furan-2(5H),9'-[9H]pyrrolo[1,2-a]azepine]-3',5(2'H)-dione,octahydro-3-hydroxy-4-methyl-, [2S-[2a(R*),3a,4b]]-
- Tuberostemospironine
- CID 101449918
- Spiro[furan-2(5H),9'-[9H]pyrrolo[1,2-a]azepine]-3',5(2'H)-dione, octahydro-3-hydroxy-4-methyl-, (2S,3S,4S,9'aS)-
- stemona-lactam R
-
- Inchi： 1S/C13H19NO4/c1-8-11(16)13(18-12(8)17)6-2-3-7-14-9(13)4-5-10(14)15/h8-9,11,16H,2-7H2,1H3/t8-,9-,11-,13-/m0/s1
- InChI Key： FPBTZQXLGBERTH-PZEZNAACSA-N
- SMILES： O1C([C@@H](C)[C@@H]([C@]21CCCCN1C(CC[C@H]12)=O)O)=O
Computed Properties
- Exact Mass: 253.131
- Monoisotopic Mass: 253.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 397
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66.8
- XLogP3: 0.0339999999999998
Experimental Properties
- Density: 1.30±0.1 g/cm3(Predicted)
- Boiling Point: 507.9±50.0 °C(Predicted)
- pka: 12.93±0.40(Predicted)
Tuberostemospironine Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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