(+)-Phyllodulcin
[CAS# 21499-23-0]

Identification

• Classification: Biochemical >> Chinese herbal medicine ingredients
• Name: (+)-Phyllodulcin
• Synonyms: (3R)-8-Hydroxy-3-(3-Hydroxy-4-Methoxy-Phenyl)Isochroman-1-One; (3R)-8-Hydroxy-3-(3-Hydroxy-4-Methoxyphenyl)-1-Isochromanone; 1H-2-Benzopyran-1-One, 3,4-Dihydro-8-Hydroxy-3-(3-Hydroxy-4-Methoxyphenyl)-, (R)-
• Molecular Formula: C₁₆H₁₄O₅
• Molecular Weight: 286.28
• CAS Registry Number: 21499-23-0
• SMILES: [C@@H]1(CC2=C(C(O1)=O)C(=CC=C2)O)C3=CC(=C(OC)C=C3)O
• InChI: 1S/C16H14O5/c1-20-13-6-5-9(7-12(13)18)14-8-10-3-2-4-11(17)15(10)16(19)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m1/s1
• InChIKey: PBILBHLAPJTJOT-CQSZACIVSA-N

Properties

• Density: 1.371g/cm³ (Cal.)
• Boiling point: 540.644°C at 760 mmHg (Cal.)
• Flash point: 206.203°C (Cal.)

References

• (1): Ramacciotti Alessio, Fiaschi Rita, Napolitano Elio. Highly Enantioselective Synthesis of Natural Phyllodulcin†, The Journal of Organic Chemistry, 1996