Description
IUPAC Name: (2R,3S,4S,4aR,10bS)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
InChI: InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1
InChIKey: GDYGAIKPBLFCKR-OIPGZRGRSA-N
Canonical SMILES: C1=C2C(=C(C(=C1O)O)O)C3C(C(C(C(O3)CO)O)O)OC2=O
Isomeric SMILES: C1=C2C(=C(C(=C1O)O)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC2=O
Synonyms: Norbergenin; 79595-97-4; (2R,3S,4S,4aR,10bS)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one; DEMETHYLBERGENIN; BS9UP8B38P; CHEMBL3823447; EX-A5118; HY-N9447; …
Botanical Source: