Kaempferol-3-O-rutinosid

Catalog	BBC17650849
CAS	17650-84-9
Structure
Synonyms	3,4′,5,7-Tetrahydroxyflavone 3-rhamnoglucoside
IUPAC Name	5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(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]oxychromen-4-one
Molecular Weight	594.52
Molecular Formula	C27H30O15
Canonical SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O
InChI	InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
InChI Key	RTATXGUCZHCSNG-QHWHWDPRSA-N
Boiling Point	941.7±65.0 °C
Melting Point	200 °C (dec.)
Purity	98%
Density	1.76 g/ml
Appearance	Powder
pKa	6.20±0.40