Cas no 150151-83-0 (Crucigasterin 277)
Crucigasterin 277 structure
Product Name:Crucigasterin 277
CAS No:150151-83-0
MF:C18H31NO
MW:277.444845438004
CID:188836
PubChem ID:134715061
Update Time:2024-03-01
Crucigasterin 277 Chemical and Physical Properties
Names and Identifiers
-
- 5,9,12,15-Octadecatetraen-3-ol,2-amino-, (2R,3S,5E,9Z,12Z,15Z)-
- Crucigasterin 277
- 5,9,12,15-Octadecatetraen-3-ol,2-amino-, [S-[R*,S*-(E,Z,Z,Z)]]-
- CID 134715061
- 5,9,12,15-Octadecatetraen-3-ol, 2-amino-, (2R,3S,5E,9Z,12Z,15Z)-
- (2R,3S,5E,9Z,12Z,15Z)-2-aminooctadeca-5,9,12,15-tetraen-3-ol
- AKOS040735747
- 150151-83-0
-
- Inchi： 1S/C18H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h4-5,7-8,10-11,14-15,17-18,20H,3,6,9,12-13,16,19H2,1-2H3/b5-4-,8-7-,11-10-,15-14+
- InChI Key： PEVJDMWZXLRJSP-PLUSKQGUSA-N
- SMILES： OC(C/C=C/CC/C=C\C/C=C\C/C=C\CC)C(C)N
Computed Properties
- Exact Mass: 277.240564612g/mol
- Monoisotopic Mass: 277.240564612g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 11
- Complexity: 315
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 4
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 46.2
- XLogP3: 4
Experimental Properties
- Color/Form: Oil
Crucigasterin 277 Related Literature
-
Anders Vik,Trond Vidar Hansen Org. Biomol. Chem. 2018 16 9319
-
Eugenia Marqués-López,Raquel P. Herrera,Mathias Christmann Nat. Prod. Rep. 2010 27 1138
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