astilbin

CAS: 29838-67-3

Formula: C21H22O11

SMILES: [H][C@@]1(O[C@@H]2[C@H](OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

IUPAC: (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one

InChI: InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19+,20-,21+/m0/s1

Composition: C (56.00%), H (4.92%), O (39.07%)

Molar Mass: 450.396

Atom Count: 54

Heavy Atom Count: 32