11-Hydroxy-5-methyl-2-[(1E)-1-methyl-1-propen-1-yl]-8-[2,3,6-trideoxy-3-(dimethylamino)-β-D-arabino-hexopyranosyl]-10-[2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-α-L-lyxo-hexopyranosyl]-4H-anthra[1,2-b]pyran-4,7,12-trione

CAS Registry Number®

11072-82-5
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CAS Name

11-Hydroxy-5-methyl-2-[(1E)-1-methyl-1-propen-1-yl]-8-[2,3,6-trideoxy-3-(dimethylamino)-β-D-arabino-hexopyranosyl]-10-[2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-α-L-lyxo-hexopyranosyl]-4H-anthra[1,2-b]pyran-4,7,12-trione

Molecular Formula

C39H48N2O9

Molecular Mass

688.81

Cite this Page

11-Hydroxy-5-methyl-2-[(1E)-1-methyl-1-propen-1-yl]-8-[2,3,6-trideoxy-3-(dimethylamino)-β-D-arabino-hexopyranosyl]-10-[2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-α-L-lyxo-hexopyranosyl]-4H-anthra[1,2-b]pyran-4,7,12-trione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=11072-82-5 (retrieved 2024-04-29) (CAS RN: 11072-82-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    211.5-213 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C39H48N2O9/c1-11-17(2)26-15-25(42)29-18(3)12-23-31(37(29)50-26)36(46)32-30(35(23)45)21(27-14-24(40(7)8)33(43)19(4)48-27)13-22(34(32)44)28-16-39(6,41(9)10)38(47)20(5)49-28/h11-13,15,19-20,24,27-28,33,38,43-44,47H,14,16H2,1-10H3/b17-11+/t19-,20+,24-,27-,28-,33-,38-,39+/m1/s1

InChIKey

InChIKey=MFTJRTUKCOVIMD-DKUBSEJESA-N

SMILES

O=C1C2=C(C=C(C(O)=C2C(=O)C3=C1C=C(C)C4=C3OC(\C(=C\C)\C)=CC4=O)[C@H]5C[C@@](N(C)C)(C)[C@H](O)[C@H](C)O5)[C@H]6C[C@@H](N(C)C)[C@H](O)[C@@H](C)O6

Canonical SMILES

O=C1C=C(OC=2C=3C(=O)C=4C(O)=C(C=C(C4C(=O)C3C=C(C12)C)C5OC(C)C(O)C(N(C)C)C5)C6OC(C)C(O)C(N(C)C)(C)C6)C(=CC)C

Other Names for this Substance

  • 4H-Anthra[1,2-b]pyran-4,7,12-trione, 11-hydroxy-5-methyl-2-[(1E)-1-methyl-1-propen-1-yl]-8-[2,3,6-trideoxy-3-(dimethylamino)-β-D-arabino-hexopyranosyl]-10-[2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-α-L-lyxo-hexopyranosyl]-
  • 4H-Anthra[1,2-b]pyran-4,7,12-trione, 11-hydroxy-5-methyl-2-(1-methyl-1-propenyl)-8-[2,3,6-trideoxy-3-(dimethylamino)-β-D-arabino-hexopyranosyl]-10-[2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-α-L-lyxo-hexopyranosyl]-, (E)-
  • 4H-Anthra[1,2-b]pyran-4,7,12-trione, 11-hydroxy-5-methyl-2-[(1E)-1-methyl-1-propenyl]-8-[2,3,6-trideoxy-3-(dimethylamino)-β-D-arabino-hexopyranosyl]-10-[2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-α-L-lyxo-hexopyranosyl]-
  • 11-Hydroxy-5-methyl-2-[(1E)-1-methyl-1-propen-1-yl]-8-[2,3,6-trideoxy-3-(dimethylamino)-β-D-arabino-hexopyranosyl]-10-[2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-α-L-lyxo-hexopyranosyl]-4H-anthra[1,2-b]pyran-4,7,12-trione
  • Kidamycin

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Deleted or Replaced CAS Registry Numbers

12626-77-6

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