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12798-51-5 | Spiro[furan-3(2H),6'-[6H]naphtho[1,8-bc]furan]-2,2'(4'H)-dione, 5-(3-furanyl)-3',4,5,5',5'a,7',8',8'a-octahydro-8'-hydroxy-7'-methyl-, (3S,5S,5'aS,7'S,8'S,8'aR)-
CAS No: 12798-51-5 Catalog No: AG000XMX MDL No:
Product Description
Catalog Number:
AG000XMX
Chemical Name:
Spiro[furan-3(2H),6'-[6H]naphtho[1,8-bc]furan]-2,2'(4'H)-dione, 5-(3-furanyl)-3',4,5,5',5'a,7',8',8'a-octahydro-8'-hydroxy-7'-methyl-, (3S,5S,5'aS,7'S,8'S,8'aR)-
CAS Number:
12798-51-5
IUPAC Name:
(1R,5'S,8S,9S,10S,11S)-5'-(furan-3-yl)-11-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione
InChI:
InChI=1S/C19H20O6/c1-9-15(20)16-14-11(17(21)25-16)3-2-4-12(14)19(9)7-13(24-18(19)22)10-5-6-23-8-10/h5-6,8-9,12-13,15-16,20H,2-4,7H2,1H3/t9-,12+,13+,15+,16-,19-/m1/s1
InChI Key:
AONLJCCUYGGOSW-PJERILTQSA-N
Properties
Complexity:
669
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
344.126g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.363g/mol
Monoisotopic Mass:
344.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Identification of the protein targets of the reactive metabolite of teucrin A in vivo in the rat. | Chemical research in toxicology 20071001 |
| Characterization of the amino acid adducts of the enedial derivative of teucrin A. | Chemical research in toxicology 20061001 |
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