(7R,8R)-8-Ethyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-7-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-5,12-naphthacenedione

CAS Registry Number®

77517-27-2
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CAS Name

(7R,8R)-8-Ethyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-7-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-5,12-naphthacenedione

Molecular Formula

C40H53NO14

Molecular Mass

771.85

Cite this Page

(7R,8R)-8-Ethyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-7-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-5,12-naphthacenedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77517-27-2 (retrieved 2024-05-16) (CAS RN: 77517-27-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    146-150 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C40H53NO14/c1-7-40(49)14-13-21-30(36(48)32-31(34(21)46)35(47)29-20(33(32)45)9-8-10-24(29)43)39(40)55-27-15-22(41(5)6)37(18(3)51-27)54-28-16-25(44)38(19(4)52-28)53-26-12-11-23(42)17(2)50-26/h8-10,17-19,22-23,25-28,37-39,42-44,46,48-49H,7,11-16H2,1-6H3/t17-,18-,19-,22-,23-,25-,26-,27-,28-,37+,38+,39+,40+/m0/s1

InChIKey

InChIKey=MYQIMJTUIOIEOX-LVWNLLCFSA-N

SMILES

O([C@@H]1C2=C(C(O)=C3C(=C2O)C(=O)C=4C(C3=O)=C(O)C=CC4)CC[C@@]1(CC)O)[C@H]5C[C@H](N(C)C)[C@H](O[C@H]6C[C@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@@H](O)CC7)[C@H](C)O6)[C@H](C)O5

Canonical SMILES

O=C1C=2C=CC=C(O)C2C(=O)C=3C(O)=C4C(=C(O)C13)C(OC5OC(C)C(OC6OC(C)C(OC7OC(C)C(O)CC7)C(O)C6)C(N(C)C)C5)C(O)(CC)CC4

Other Names for this Substance

  • 5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-7-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, (7R,8R)-
  • 5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-7-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[[2S-(2α,5β,6β)]-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, (7R-trans)-
  • (7R,8R)-8-Ethyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-7-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-5,12-naphthacenedione
  • γ-Rhodomycin RDRs
  • Cosmomycin B

View All

Deleted or Replaced CAS Registry Numbers

120920-16-3, 40795-73-1

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