3-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-1,6-dihydroxy-2-methyl-9,10-anthracenedione

CAS Registry Number®

87686-88-2
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CAS Name

3-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-1,6-dihydroxy-2-methyl-9,10-anthracenedione

Molecular Formula

C27H30O14

Molecular Mass

578.52

Cite this Page

3-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-1,6-dihydroxy-2-methyl-9,10-anthracenedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87686-88-2 (retrieved 2024-09-09) (CAS RN: 87686-88-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H30O14/c1-8-14(6-13-16(17(8)30)20(33)11-4-3-10(29)5-12(11)19(13)32)39-27-25(23(36)21(34)15(7-28)40-27)41-26-24(37)22(35)18(31)9(2)38-26/h3-6,9,15,18,21-31,34-37H,7H2,1-2H3/t9-,15+,18-,21+,22+,23-,24+,25+,26-,27+/m0/s1

InChIKey

InChIKey=UMBHTGLJTANWCB-ICXAYODDSA-N

SMILES

O=C1C=2C(C(=O)C=3C1=CC=C(O)C3)=CC(O[C@H]4[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O)[C@@H](CO)O4)=C(C)C2O

Canonical SMILES

O=C1C2=CC(O)=CC=C2C(=O)C3=C(O)C(=C(OC4OC(CO)C(O)C(O)C4OC5OC(C)C(O)C(O)C5O)C=C13)C

Other Names for this Substance

  • 9,10-Anthracenedione, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-1,6-dihydroxy-2-methyl-
  • 3-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-1,6-dihydroxy-2-methyl-9,10-anthracenedione
  • 1,3,6-Trihydroxy-2-methylanthraquinone 3-O-α-L-rhamnosyl-(1→2)-β-D-glucoside

Deleted or Replaced CAS Registry Numbers

1359823-07-6