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88378-59-0 | Actinopyrone A
CAS No: 88378-59-0 Catalog No: AG004FRO MDL No:
Product Description
Catalog Number:
AG004FRO
Chemical Name:
Actinopyrone A
CAS Number:
88378-59-0
Molecular Formula:
C25H36O4
Molecular Weight:
400.5509
IUPAC Name:
2-[(2E,5E,7E,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-6-methoxy-3,5-dimethylpyran-4-one
InChI:
InChI=1S/C25H36O4/c1-9-18(4)23(26)19(5)15-17(3)12-10-11-16(2)13-14-22-20(6)24(27)21(7)25(28-8)29-22/h9-10,12-13,15,19,23,26H,11,14H2,1-8H3/b12-10+,16-13+,17-15+,18-9+
InChI Key:
PFVSUJLJFXJPMF-CBXUJFJJSA-N
SMILES:
CC=C(C(C(C=C(C=CCC(=CCc1oc(OC)c(c(=O)c1C)C)C)C)C)O)C
Properties
Complexity:
788
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4
Exact Mass:
400.261g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
400.559g/mol
Monoisotopic Mass:
400.261g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
Literature
| Title | Journal |
|---|---|
| Total synthesis of an anti-Helicobacter pylori agent, actinopyrone A. | Chemistry, an Asian journal 20080901 |
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