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

CAS Registry Number®

139742-39-5

CAS Name

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

Molecular Formula

C28H30O15

Molecular Mass

606.53

Cite this Page

3-[(6-O-Acetyl-2-O-β-D-xylopyranosyl-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=139742-39-5 (retrieved 2024-11-25) (CAS RN: 139742-39-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H30O15/c1-9-16(6-14-18(19(9)32)21(34)12-4-3-11(30)5-13(12)20(14)33)41-28-26(43-27-25(38)22(35)15(31)7-40-27)24(37)23(36)17(42-28)8-39-10(2)29/h3-6,15,17,22-28,30-32,35-38H,7-8H2,1-2H3/t15-,17-,22+,23-,24+,25-,26-,27+,28-/m1/s1

InChIKey

InChIKey=JGCFTRKGKNECSV-ZIAPGWQOSA-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)CO5)[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(OC5OCC(O)C(O)C5O)C(O)C1O)C

Other Names for this Substance

  • 9,10-Anthracenedione, 3-[(6-O-acetyl-2-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-1,6-dihydroxy-2-methyl-
  • 3-[(6-O-Acetyl-2-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-1,6-dihydroxy-2-methyl-9,10-anthracenedione

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