Hesperidin

CAS	520-26-3
Structure
Synonyms	Atripliside B
IUPAC Name	(2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Molecular Weight	610.56
Molecular Formula	C28H34O15
Canonical SMILES	CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
InChI	InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
InChI Key	QUQPHWDTPGMPEX-QJBIFVCTSA-N
Boiling Point	576.16 °C
Melting Point	250-255 °C(lit.)
Flash Point	305.5 °C
Purity	95%
Density	1.3290 g/cm³
Refractive Index	1.5940
pKa	7.15±0.40(Predicted)
Appearance	Light brown powder