Cosmomycin B

Cosmomycin B
Names
	IUPAC name (7R,8R)-8-Ethyl-1,6,8,11-tetrahydroxy-7-[(2,3,6-trideoxy-α-L-threo-hexopyranosyl)-(1→4)-(2,6-dideoxy-α-L-lyxo-hexopyranosyl)-(1→4)-3-(dimethylamino)-2,3,6-trideoxy-α-L-lyxo-hexopyranosyloxy]-7,8,9,10-tetrahydrotetracene-5,12-dione
	Systematic IUPAC name (12S,15S,16S,32S,34S,35S,36S,52S,54S,55S,56S,71R,72R)-54-(Dimethylamino)-72-ethyl-15,34,72,75,77,712-hexahydroxy-16,36,56-trimethyl-71,72,73,74-tetrahydro-2,4,6-trioxa-1(2),3,5(5,2)-tris(oxana)-7(1)-tetracenaheptaphane-76,711-dione
Identifiers
CAS Number	77517-27-2 ;
3D model (JSmol)	Interactive image;
ChemSpider	138140;
PubChem CID	156935;
UNII	VFY8ZMN4RJ ;
CompTox Dashboard (EPA)	DTXSID80228220 ;
	InChI InChI=1S/C40H53NO14/c1-7-40(49)14-13-21-30(36(48)32-31(34(21)46)35(47)29-20(33(32)45)9-8-10-24(29)43)39(40)55-27-15-22(41(5)6)37(18(3)51-27)54-28-16-25(44)38(19(4)52-28)53-26-12-11-23(42)17(2)50-26/h8-10,17-19,22-23,25-28,37-39,42-44,46,48-49H,7,11-16H2,1-6H3/t17-,18-,19-,22-,23-,25-,26-,27-,28-,37+,38+,39+,40+/m0/s1 Key: MYQIMJTUIOIEOX-LVWNLLCFSA-N; InChI=1/C40H53NO14/c1-7-40(49)14-13-21-30(36(48)32-31(34(21)46)35(47)29-20(33(32)45)9-8-10-24(29)43)39(40)55-27-15-22(41(5)6)37(18(3)51-27)54-28-16-25(44)38(19(4)52-28)53-26-12-11-23(42)17(2)50-26/h8-10,17-19,22-23,25-28,37-39,42-44,46,48-49H,7,11-16H2,1-6H3/t17-,18-,19-,22-,23-,25-,26-,27-,28-,37+,38+,39+,40+/m0/s1 Key: MYQIMJTUIOIEOX-LVWNLLCFBB;
	SMILES CC[C@]1(CCc2c(c(c3c(c2O)C(=O)c4c(cccc4O)C3=O)O)[C@H]1O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CC[C@@H]([C@@H](O7)C)O)O)N(C)C)O;
Properties
Chemical formula	C40H53NO14
Molar mass	771.847
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Cosmomycin B is an anthracycline antibiotic.^[1]

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Cosmomycin B

References

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Names

IUPAC name (7R,8R)-8-Ethyl-1,6,8,11-tetrahydroxy-7-[(2,3,6-trideoxy-α-L-threo-hexopyranosyl)-(1→4)-(2,6-dideoxy-α-L-lyxo-hexopyranosyl)-(1→4)-3-(dimethylamino)-2,3,6-trideoxy-α-L-lyxo-hexopyranosyloxy]-7,8,9,10-tetrahydrotetracene-5,12-dione
Systematic IUPAC name (1²S,1⁵S,1⁶S,3²S,3⁴S,3⁵S,3⁶S,5²S,5⁴S,5⁵S,5⁶S,7¹R,7²R)-5⁴-(Dimethylamino)-7²-ethyl-1⁵,3⁴,7²,7⁵,7⁷,7¹²-hexahydroxy-1⁶,3⁶,5⁶-trimethyl-7¹,7²,7³,7⁴-tetrahydro-2,4,6-trioxa-1(2),3,5(5,2)-tris(oxana)-7(1)-tetracenaheptaphane-7⁶,7¹¹-dione
Identifiers
CAS Number	77517-27-2^Y
3D model (JSmol)	Interactive image
ChemSpider	138140
PubChem CID	156935
UNII	VFY8ZMN4RJ^Y
CompTox Dashboard (EPA)	DTXSID80228220
InChI InChI=1S/C40H53NO14/c1-7-40(49)14-13-21-30(36(48)32-31(34(21)46)35(47)29-20(33(32)45)9-8-10-24(29)43)39(40)55-27-15-22(41(5)6)37(18(3)51-27)54-28-16-25(44)38(19(4)52-28)53-26-12-11-23(42)17(2)50-26/h8-10,17-19,22-23,25-28,37-39,42-44,46,48-49H,7,11-16H2,1-6H3/t17-,18-,19-,22-,23-,25-,26-,27-,28-,37+,38+,39+,40+/m0/s1 Key: MYQIMJTUIOIEOX-LVWNLLCFSA-N InChI=1/C40H53NO14/c1-7-40(49)14-13-21-30(36(48)32-31(34(21)46)35(47)29-20(33(32)45)9-8-10-24(29)43)39(40)55-27-15-22(41(5)6)37(18(3)51-27)54-28-16-25(44)38(19(4)52-28)53-26-12-11-23(42)17(2)50-26/h8-10,17-19,22-23,25-28,37-39,42-44,46,48-49H,7,11-16H2,1-6H3/t17-,18-,19-,22-,23-,25-,26-,27-,28-,37+,38+,39+,40+/m0/s1 Key: MYQIMJTUIOIEOX-LVWNLLCFBB
SMILES CC[C@]1(CCc2c(c(c3c(c2O)C(=O)c4c(cccc4O)C3=O)O)[C@H]1O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CC[C@@H]([C@@H](O7)C)O)O)N(C)C)O
Properties
Chemical formula	C₄₀H₅₃NO₁₄
Molar mass	771.847
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references