CAS Registry Number®
130603-71-3
CAS Name
α-Glucosylrutin
Molecular Formula
C33H40O21
Molecular Mass
772.66
Other Names and Identifiers
InChI
InChI=1S/C33H40O21/c1-9-19(39)22(42)25(45)31(49-9)48-8-17-29(53-32-26(46)23(43)20(40)16(7-34)51-32)24(44)27(47)33(52-17)54-30-21(41)18-14(38)5-11(35)6-15(18)50-28(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-20,22-27,29,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,22+,23-,24+,25+,26+,27+,29+,31+,32+,33-/m0/s1
InChIKey
InChIKey=PFPQMWRASYNLMZ-LGIMBNBCSA-N
SMILES
O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(O)=C(O)C=C3)[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]4O
Canonical SMILES
O=C1C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(OC4OC(CO)C(O)C(O)C4O)C(O)C2O)=C(OC=5C=C(O)C=C(O)C15)C=6C=CC(O)=C(O)C6
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-[α-D-glucopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
- 3-[(O-6-Deoxy-α-L-mannopyranosyl-(1→6)-O-[α-D-glucopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
- G-rutin
- α-Glucosylrutin
- α-Glucopyranosylrutin
- 4G-α-D-glucopyranosylrutin
- α G-Rutin
- αG-Rutin PS-C
- αG rutin PS
- Rutin G
Deleted or Replaced CAS Registry Numbers
139385-81-2
