Coumermycin A1

Catalog Number: BC-0384

CAS Number: 4434-05-3

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Specifications

Product Information
Molecular Formula	C₅₅H₅₉N₅O₂₀
Molecular Weight	1110.08
Purity	≥98% by TLC
SMILES	CC1=CC=C(N1)C(=O)OC2C(C(OC(C2OC)(C)C)OC3=C(C4=C(C=C3)C(=C(C(=O)O4)NC(=O)C5=CNC(=C5C)C(=O) NC6=C(C7=C(C(=C(C=C7)OC8C(C(C(C(O8)(C)C)OC)OC(=O)C9=CC=C(N9)C)O)C)OC6=O)O)O)C)O
InChi	InChI=1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26) 24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64) 43(45(72-11)55(8,9) 80-53)78-49(68)30-17-13-22(2) 58-30/h12-20, 38-39,42-45,52-53,56-58, 61-64H,1-11H3, (H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45-,52-,53-/m1/s1
InChi Key	WTIJXIZOODAMJT-DHFGXMAYSA-N
Alternate Name	[(3~{R},4~{S},5~{R},6~{R})-5-hydroxy-6-[4-hydroxy-3-[[5-[[4-hydroxy-7-[(2~{R},3~{R},4~{S},5~{R})-3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1~{H}-pyrrole-2-carbonyl)oxyoxan-2-yl]oxy-8-methyl-2-oxochromen-3-yl]carbamoyl]-4-methyl-1~{H}-pyrrole-3-carbonyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1~{H}-pyrrole-2-carboxylate, Sugordomycin D-1a, COUMERMYCIN
Appearance	White to off-white solid

Properties
Storage Conditions	-20ºC
Shipping Conditions	Gel Pack
Solubility	>40 mg/ml in DMSO

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