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Home > Other Heterocycles > 88936-02-1
88936-02-1 | 5,15-Dioxabicyclo[10.2.1]pentadecane-4,14-dione,1-hydroxy-6-pentyl-, (1S,6R,12R)-
CAS No: 88936-02-1 Catalog No: AG0047Z7 MDL No:
Product Description
Catalog Number:
AG0047Z7
Chemical Name:
5,15-Dioxabicyclo[10.2.1]pentadecane-4,14-dione,1-hydroxy-6-pentyl-, (1S,6R,12R)-
CAS Number:
88936-02-1
Molecular Formula:
C18H30O5
Molecular Weight:
326.4278
IUPAC Name:
(1R,6R,12S)-1-hydroxy-6-pentyl-5,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione
InChI:
InChI=1S/C18H30O5/c1-2-3-5-8-14-9-6-4-7-10-15-13-16(19)18(21,23-15)12-11-17(20)22-14/h14-15,21H,2-13H2,1H3/t14-,15+,18-/m1/s1
InChI Key:
IBDVATCSJHTIKV-RVKKMQEKSA-N
SMILES:
CCCCC[C@@H]1CCCCC[C@@H]2O[C@@](CCC(=O)O1)(O)C(=O)C2
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
326.209g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.433g/mol
Monoisotopic Mass:
326.209g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Macrocyclization by nickel-catalyzed, ester-promoted, epoxide-alkyne reductive coupling: total synthesis of (-)-gloeosporone. | Angewandte Chemie (International ed. in English) 20090101 |
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