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

CAS Registry Number®

87686-87-1
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CAS Name

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

Molecular Formula

C29H32O15

Molecular Mass

620.56

Cite this Page

3-[[6-O-Acetyl-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=87686-87-1 (retrieved 2024-09-06) (CAS RN: 87686-87-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H32O15/c1-9-16(7-15-18(19(9)32)22(35)13-5-4-12(31)6-14(13)21(15)34)42-29-27(25(38)23(36)17(43-29)8-40-11(3)30)44-28-26(39)24(37)20(33)10(2)41-28/h4-7,10,17,20,23-29,31-33,36-39H,8H2,1-3H3/t10-,17+,20-,23+,24+,25-,26+,27+,28-,29+/m0/s1

InChIKey

InChIKey=MYMGMMVFIFXMSB-TUABHHCTSA-N

SMILES

O=C1C=2C(C(=O)C=3C1=CC(O)=CC3)=C(O)C(C)=C(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](COC(C)=O)O4)C2

Canonical SMILES

O=C(OCC1OC(OC=2C=C3C(=O)C4=CC(O)=CC=C4C(=O)C3=C(O)C2C)C(OC5OC(C)C(O)C(O)C5O)C(O)C1O)C

Other Names for this Substance

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