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149370-53-6 | MELEUMYCIN
CAS No: 149370-53-6 Catalog No: AG001LMO MDL No:
Product Description
Catalog Number:
AG001LMO
Chemical Name:
MELEUMYCIN
CAS Number:
149370-53-6
IUPAC Name:
[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] propanoate;[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-[(2S,4R,5S,6S)-4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate
InChI:
InChI=1S/C41H67NO15.C40H65NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2;1-11-30(45)54-38-25(5)51-32(21-40(38,7)48)55-35-24(4)52-39(34(47)33(35)41(8)9)56-36-27(17-18-42)19-22(2)28(44)16-14-12-13-15-23(3)50-31(46)20-29(37(36)49-10)53-26(6)43/h13-15,17,19,23-29,33-40,44,48-49H,11-12,16,18,20-22H2,1-10H3;12-14,16,18,22-25,27-29,32-39,44,47-48H,11,15,17,19-21H2,1-10H3/b14-13+,17-15+;13-12+,16-14+/t23-,24-,25-,26+,27+,28+,29-,33+,34-,35-,36-,37+,38+,39+,40+,41-;22-,23-,24-,25+,27+,28+,29-,32+,33-,34-,35-,36+,37+,38+,39+,40-/m11/s1
InChI Key:
HVEXHKVEVSLPCL-PYVCBIJDSA-N
Properties
Complexity:
2700
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
32
Defined Bond Stereocenter Count:
4
Exact Mass:
1612.886g/mol
Formal Charge:
0
Heavy Atom Count:
113
Hydrogen Bond Acceptor Count:
32
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
1613.931g/mol
Monoisotopic Mass:
1612.886g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
412A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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