Coumermycin A1

CAS Registry Number®

4434-05-3
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CAS Name

Coumermycin A1

Molecular Formula

C55H59N5O20

Molecular Mass

1110.08

Cite this Page

Coumermycin A1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4434-05-3 (retrieved 2024-04-20) (CAS RN: 4434-05-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=WTIJXIZOODAMJT-DHFGXMAYSA-N

SMILES

OC=1C=2C(=C(C)C(O[C@H]3[C@H](O)[C@H](OC(=O)C=4NC(C)=CC4)[C@@H](OC)C(C)(C)O3)=CC2)OC(=O)C1NC(=O)C=5C(C)=C(C(NC6=C(O)C=7C(OC6=O)=C(C)C(O[C@H]8[C@H](O)[C@H](OC(=O)C=9NC(C)=CC9)[C@@H](OC)C(C)(C)O8)=CC7)=O)NC5

Canonical SMILES

O=C1OC2=C(C=CC(OC3OC(C)(C)C(OC)C(OC(=O)C4=CC=C(N4)C)C3O)=C2C)C(O)=C1NC(=O)C5=CNC(C(=O)NC=6C(=O)OC7=C(C=CC(OC8OC(C)(C)C(OC)C(OC(=O)C9=CC=C(N9)C)C8O)=C7C)C6O)=C5C

Other Names for this Substance

  • 1H-Pyrrole-2,4-dicarboxamide, N2,N4-bis[7-[[6-deoxy-5-C-methyl-4-O-methyl-3-O-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-α-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-3-methyl-
  • Coumermycin A1
  • Pyrrole-2-carboxylic acid, 5-methyl-, diester with 3,3′-[(3-methylpyrrole-2,4-diyl)bis(carbonylimino)]bis[7-[(5,5-di-C-methyl-4-O-methyl-α-L-lyxopyranosyl)oxy]-4-hydroxy-8-methylcoumarin]
  • 1H-Pyrrole-2-carboxylic acid, 5-methyl-, diester with N,N′-bis[7-[(6-deoxy-5-C-methyl-4-O-methyl-α-L-lyxo-hexopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-3-methyl-1H-pyrrole-2,4-dicarboxamide
  • 1H-Pyrrole-2,4-dicarboxamide, N,N′-bis[7-[[6-deoxy-5-C-methyl-4-O-methyl-3-O-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-α-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-3-methyl-

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Deleted or Replaced CAS Registry Numbers

1372-92-5, 11035-12-4, 22260-48-6, 22850-02-8, 23249-07-2, 30418-37-2, 30546-09-9, 894411-30-4

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