Neohesperidin

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Catalog Number ACM13241333
Product Name Neohesperidin
CAS Number 13241-33-3
Structure Neohesperidin
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-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
Synonyms (2S)-Neohesperidin
Molecular Weight 610.56
Molecular Formula C28H34O15
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O
Inchi InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
InChIKey ARGKVCXINMKCAZ-UZRWAPQLSA-N
Boiling Point 933.7±65.0 °C
Melting Point 239-243 °C
Flash Point 306.7 °C
Purity 98%
Density 1.65±0.1 g/cm³
Storage Sealed in dry, 2-8 °C
Physical State Solid
Refractive Index 1.695

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