Cas no 2122-29-4 ((5alpha,7alpha)-spartein-5-ol)
(5alpha,7alpha)-spartein-5-ol structure
Product Name:(5alpha,7alpha)-spartein-5-ol
CAS No:2122-29-4
MF:C15H26N2O
MW:250.379744052887
CID:1399608
PubChem ID:442962
Update Time:2025-04-20
(5alpha,7alpha)-spartein-5-ol Chemical and Physical Properties
Names and Identifiers
-
- (5alpha,7alpha)-spartein-5-ol
- (+)-Retamine
- (1S,7aβ,14aα)-Dodecahydro-7β,14β-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-1-ol
- W1C646VHEF
- A-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-1-ol
- A)-Dodecahydro-7
- RETAMINE [MI]
- Retamine
- UNII-W1C646VHEF
- (1S,7a
- A,14
- A,14a
- 7,14-METHANO-2H,6H-DIPYRIDO(1,2-A:1',2'-E)(1,5)DIAZOCIN-1-OL, DODECAHYDRO-, (1S,7R,7AS,14R,14AS)-
- 2122-29-4
- (1R, 2S, 3S, 9R, 10S)-7, 15-diazatetracyclo[7.7.1.02, 7.010, 15]heptadecan-3-ol
- AKOS040753733
- DTXSID80943582
- NS00094232
- CHEBI:8813
- C10780
- spartein-5-ol
- (1S,7abeta,14aalpha)-Dodecahydro-7beta,14beta-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-1-ol
-
- Inchi： 1S/C15H26N2O/c18-14-5-3-7-17-9-11-8-12(15(14)17)10-16-6-2-1-4-13(11)16/h11-15,18H,1-10H2/t11-,12-,13+,14+,15+/m1/s1
- InChI Key： JMXNBIDTNISOTA-MRLBHPIUSA-N
- SMILES： O[C@H]1CCCN2C[C@H]3C[C@H](CN4CCCC[C@H]43)[C@H]21
Computed Properties
- Exact Mass: 250.204513457g/mol
- Monoisotopic Mass: 250.204513457g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 322
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 26.7?2
Experimental Properties
- Melting Point: 165-166°
- Specific Rotation: D20 +46.2° (c = 1.017 in abs ethanol)
(5alpha,7alpha)-spartein-5-ol Related Literature
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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