(±)-Vestitol
[CAS# 52305-03-0]

Identification

• Name: (±)-Vestitol
• Synonyms: 3-(2-Hydroxy-4-Methoxy-Phenyl)Chroman-7-Ol; 3-(2-Hydroxy-4-Methoxyphenyl)-7-Chromanol; Acon1_000883
• Molecular Formula: C₁₆H₁₆O₄
• Molecular Weight: 272.30
• CAS Registry Number: 52305-03-0 (56701-24-7)
• SMILES: C3=C(C2CC1=C(C=C(O)C=C1)OC2)C(=CC(=C3)OC)O
• InChI: 1S/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3
• InChIKey: XRVFNNUXNVWYTI-UHFFFAOYSA-N

Properties

• Density: 1.282g/cm³ (Cal.)
• Boiling point: 418.544°C at 760 mmHg (Cal.)
• Flash point: 206.928°C (Cal.)

References

• (1): Cornia Mara, Merlini Lucio. A possible chemical analogy for pterocarpan biosynthesis, Journal of the Chemical Society, Chemical Communications, 1975