Poncirin

Catalog	BBC14941083
CAS	14941-08-3
Structure
Synonyms	(2S)-4'-Methoxy-5-hydroxy-7-(2-O-α-L-rhamnopyranosyl-β-D-glucopyranosyloxy)flavanone
IUPAC Name	(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Molecular Weight	594.56
Molecular Formula	C28H34O14
Canonical SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)OC)O)CO)O)O)O)O)O
InChI	InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
InChI Key	NLAWPKPYBMEWIR-SKYQDXIQSA-N
Boiling Point	900.1±65.0 °C
Melting Point	210 °C
Purity	98%
Density	1.59 g/ml
Appearance	Powder
pKa	7.15±0.40