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Naphthomycin A

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CAT#	MFP-075
Chemical Structure
CAS	55557-40-9
Synonyms/Alias	Naphthomycin; NAPHTHOMYCIN A
Chemical Name	(7E,9S,10S,11R,12E,14R,16Z,20S,21S,22Z,24Z,26E)-31-chloro-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone
M.F/Formula	C40H46ClNO9
M.W/Mr.	720.2

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InChI	InChI=1S/C40H46ClNO9/c1-20-11-9-8-10-12-23(4)40(51)42-34-33(41)39(50)31-28(38(34)49)18-26(7)37(48)32(31)36(47)25(6)17-24(5)35(46)22(3)14-16-27(43)15-13-21(2)30(45)19-29(20)44/h8-14,16-18,20,22,24,27,29,35,43-44,46,48H,15,19H2,1-7H3,(H,42,51)/b10-8-,11-9-,16-14+,21-13-,23-12+,25-17+/t20-,22+,24-,27+,29-,35-/m0/s1
InChI Key	AXEGRHYJHHPVDH-DLRKXJALSA-N
Canonical SMILES	CC1C=CC=CC=C(C(=O)NC2=C(C(=O)C3=C(C2=O)C=C(C(=C3C(=O)C(=CC(C(C(C=CC(CC=C(C(=O)CC1O)C)O)C)O)C)C)O)C)Cl)C
Isomeric SMILES	C[C@H]1/C=C\C=C/C=C(/C(=O)NC2=C(C(=O)C3=C(C2=O)C=C(C(=C3C(=O)/C(=C/[C@@H]([C@H]([C@@H](/C=C/[C@@H](C/C=C(\C(=O)C[C@@H]1O)/C)O)C)O)C)/C)O)C)Cl)\C