(2S)-2-(1,3-Benzodioxol-5-Yl)-5,7-Dimethoxy-8-(3-Methylbut-2-Enyl)Chroman-4-One
[CAS# 146713-94-2]

Identification

• Name: (2S)-2-(1,3-Benzodioxol-5-Yl)-5,7-Dimethoxy-8-(3-Methylbut-2-Enyl)Chroman-4-One
• Synonyms: (2S)-2-(1,3-Benzodioxol-5-Yl)-5,7-Dimethoxy-8-(3-Methylbut-2-Enyl)-4-Chromanone; Pongapinone B; 4H-1-Benzopyran-4-One, 2-(1,3-Benzodioxol-5-Yl)-2,3-Dihydro-5,7-Dimethoxy-8-(3-Methyl-2-Butenyl)-, (S)-
• Molecular Formula: C₂₃H₂₄O₆
• Molecular Weight: 396.44
• CAS Registry Number: 146713-94-2
• SMILES: [C@@H]1(OC2=C(C(=O)C1)C(=CC(=C2CC=C(C)C)OC)OC)C4=CC=C3OCOC3=C4
• InChI: 1S/C23H24O6/c1-13(2)5-7-15-19(25-3)11-21(26-4)22-16(24)10-18(29-23(15)22)14-6-8-17-20(9-14)28-12-27-17/h5-6,8-9,11,18H,7,10,12H2,1-4H3/t18-/m0/s1
• InChIKey: QNKSZZRDFRCBNL-SFHVURJKSA-N

Properties

• Density: 1.228g/cm³ (Cal.)
• Boiling point: 584.438°C at 760 mmHg (Cal.)
• Flash point: 254.462°C (Cal.)