CAS | 20702-77-6 |
Structure | |
Synonyms | Neohesperidin DC |
IUPAC Name | 1-[4-[(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-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one |
Molecular Weight | 612.58 |
Molecular Formula | C28H36O15 |
Canonical SMILES | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC(=C(C=C4)OC)O)O)CO)O)O)O)O)O |
InChI | InChI=1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1 |
InChI Key | ITVGXXMINPYUHD-CUVHLRMHSA-N |
Boiling Point | 927.1±65.0 °C |
Melting Point | 156-158 °C(lit.) |
Flash Point | 302.6 °C |
Purity | 98% |
Density | 1.61±0.1 g/cm³ |
Refractive Index | 1.684 |
pKa | 6.85±0.40(Predicted) |
Appearance | Light yellow crystalline |
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