Glucofrangulin A

CAS Registry Number®

21133-53-9
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CAS Name

Glucofrangulin A

Molecular Formula

C27H30O14

Molecular Mass

578.52

Cite this Page

Glucofrangulin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21133-53-9 (retrieved 2024-07-22) (CAS RN: 21133-53-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=GPSQZOFVCVOOIE-QWVHOXPHSA-N

SMILES

O(C1=C2C(C(=O)C=3C(C2=O)=C(O)C=C(C)C3)=CC(O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)=C1)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C1C=2C=C(OC3OC(C)C(O)C(O)C3O)C=C(OC4OC(CO)C(O)C(O)C4O)C2C(=O)C5=C(O)C=C(C=C15)C

Other Names for this Substance

  • 9,10-Anthracenedione, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-1-(β-D-glucopyranosyloxy)-8-hydroxy-6-methyl-
  • Glucofrangulin A
  • 3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-1-(β-D-glucopyranosyloxy)-8-hydroxy-6-methyl-9,10-anthracenedione
  • Glucofragulin A

Deleted or Replaced CAS Registry Numbers

28983-14-4, 1270014-11-3