Methyl (6aR,7S,10aR)-3-[(6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-6,6a,7,10,10a,11-hexahydro-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-2-naphthacenecarboxylate

CAS Registry Number®

97218-42-3

CAS Name

Methyl (6aR,7S,10aR)-3-[(6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-6,6a,7,10,10a,11-hexahydro-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-2-naphthacenecarboxylate

Molecular Formula

C32H36O15

Molecular Mass

660.62

Cite this Page

Methyl (6aR,7S,10aR)-3-[(6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-6,6a,7,10,10a,11-hexahydro-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-2-naphthacenecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=97218-42-3 (retrieved 2024-11-13) (CAS RN: 97218-42-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H36O15/c1-12-19-14(10-16(20(12)29(38)44-7)47-30-25(43-6)24(42-5)23(41-4)13(2)46-30)9-15-21(22(19)34)28(37)32(45-8)18(33)11-17(40-3)27(36)31(32,39)26(15)35/h9-11,13,23-25,27,30,34,36,39H,1-8H3/t13-,23-,24+,25+,27+,30-,31+,32+/m0/s1

InChIKey

InChIKey=OYEXGNNKRQPUBW-FJYHMNRNSA-N

SMILES

O(C)[C@@]12[C@@](O)(C(=O)C=3C(C1=O)=C(O)C=4C(C3)=CC(O[C@H]5[C@H](OC)[C@H](OC)[C@@H](OC)[C@H](C)O5)=C(C(OC)=O)C4C)[C@H](O)C(OC)=CC2=O

Canonical SMILES

O=C(OC)C1=C(OC2OC(C)C(OC)C(OC)C2OC)C=C3C=C4C(=O)C5(O)C(O)C(OC)=CC(=O)C5(OC)C(=O)C4=C(O)C3=C1C

Other Names for this Substance

  • 2-Naphthacenecarboxylic acid, 3-[(6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-6,6a,7,10,10a,11-hexahydro-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-, methyl ester, (6aR,7S,10aR)-
  • 2-Naphthacenecarboxylic acid, 3-[(6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-6,6a,7,10,10a,11-hexahydro-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-, methyl ester, [6aR-(6aα,7α,10aα)]-
  • Methyl (6aR,7S,10aR)-3-[(6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-6,6a,7,10,10a,11-hexahydro-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-2-naphthacenecarboxylate
  • Elloramycin
  • Elloramycin A

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