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127875-60-9 | 2H-Naphtho[2,3-b]pyran-5,10-dione, 3,4a-dichloro-10a-[(3-chloro-2,2-dimethyl-6-methylenecyclohexyl)methyl]-3,4,4a,10a-tetrahydro-6,8-dihydroxy-2,2,7-trimethyl-
CAS No: 127875-60-9 Catalog No: AG000XHM MDL No:
Product Description
Catalog Number:
AG000XHM
Chemical Name:
2H-Naphtho[2,3-b]pyran-5,10-dione, 3,4a-dichloro-10a-[(3-chloro-2,2-dimethyl-6-methylenecyclohexyl)methyl]-3,4,4a,10a-tetrahydro-6,8-dihydroxy-2,2,7-trimethyl-
CAS Number:
127875-60-9
Molecular Formula:
C26H31Cl3O5
Molecular Weight:
529.8803
IUPAC Name:
3,4a-dichloro-10a-[(3-chloro-2,2-dimethyl-6-methylidenecyclohexyl)methyl]-6,8-dihydroxy-2,2,7-trimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
InChI:
InChI=1S/C26H31Cl3O5/c1-12-7-8-17(27)23(3,4)15(12)10-26-21(32)14-9-16(30)13(2)20(31)19(14)22(33)25(26,29)11-18(28)24(5,6)34-26/h9,15,17-18,30-31H,1,7-8,10-11H2,2-6H3
InChI Key:
JCIYFFNGTHMEDE-UHFFFAOYSA-N
SMILES:
C=C1CCC(C(C1CC12OC(C)(C)C(CC2(Cl)C(=O)c2c(C1=O)cc(O)c(c2O)C)Cl)(C)C)Cl
Properties
Complexity:
903
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
528.124g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
529.879g/mol
Monoisotopic Mass:
528.124g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
Literature
| Title | Journal |
|---|---|
| Bactericidal kinetics of marine-derived napyradiomycins against contemporary methicillin-resistant Staphylococcus aureus. | Marine drugs 20110101 |
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