coumermycin a1

Name: coumermycin a1
Brand: CoreyChem
SKU: CAS:4434-05-3
Price: Contact for pricing USD
Availability: InStock

[5-hydroxy-6-[2-hydroxy-3-[[5-[[2-hydroxy-7-[3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxyoxan-2-yl]oxy-8-methyl-4-oxochromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl-4-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate

Also Known As: coumermycin a1, COUMERMYCIN, CTK8F8798, [5-Hydroxy-6-[2-hydroxy-3-[[4-[[2-hydroxy-7-[3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl1H-pyrrole-2-carbonyl)oxyoxan-2-yl]oxy-8-methyl-4-oxochromen-3-yl]carbamoyl]-3-methyl1H-pyrrole-2-carbonyl]amino]-8-methyl-4-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate, [5-hydroxy-6-[2-hydroxy-3-[[5-[[2-hydroxy-7-[3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxyoxan-2-yl]oxy-8-methyl-4-oxochromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl-4-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate

CAS: 4434-05-3

Molecular Formula	`C55H59N5O20`
Molecular Weight	1109.3754 g/mol
LogP	5.57
Topological Polar Surface Area	354.89 Å²
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	20
Rotatable Bonds	14
Exact Mass	1109.3754
Heavy Atoms	80
Complexity	3478

Chemical Identifiers

CAS Number	4434-05-3
SMILES	`CC1=CC=C(N1)C(=O)OC2C(C(OC(C2OC)(C)C)OC3=C(C4=C(C=C3)C(=O)C(=C(O4)O)NC(=O)C5=CNC(=C5C)C(=O)NC6=C(OC7=C(C6=O)C=CC(=C7C)OC8C(C(C(C(O8)(C)C)OC)OC(=O)C9=CC=C(N9)C)O)O)C)O`

Product Overview

coumermycin a1 (CAS 4434-05-3), with molecular formula C55H59N5O20 and molecular weight 1109.3754 g/mol. IUPAC: [5-hydroxy-6-[2-hydroxy-3-[[5-[[2-hydroxy-7-[3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxyoxan-2-yl]oxy-8-methyl-4-oxochromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl-4-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate.

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