(2S)-2-[2,2-Dimethyl-8-(3-Methylbut-2-Enyl)Chromen-6-Yl]-5,7-Dihydroxychroman-4-One
[CAS# 116174-67-5]

Identification

• Name: (2S)-2-[2,2-Dimethyl-8-(3-Methylbut-2-Enyl)Chromen-6-Yl]-5,7-Dihydroxychroman-4-One
• Synonyms: (2S)-2-[2,2-Dimethyl-8-(3-Methylbut-2-Enyl)Chromen-6-Yl]-5,7-Dihydroxy-Chroman-4-One; (2S)-2-[2,2-Dimethyl-8-(3-Methylbut-2-Enyl)-6-Chromenyl]-5,7-Dihydroxy-4-Chromanone; (2,6'-Bi-2H-1-Benzopyran)-4(3H)-One, 5,7-Dihydroxy-2',2'-Dimethyl-8'-(3-Methyl-2-Butenyl)-, (S)-
• Molecular Formula: C₂₅H₂₆O₅
• Molecular Weight: 406.48
• CAS Registry Number: 116174-67-5
• SMILES: [C@@H]2(OC1=CC(=CC(=C1C(=O)C2)O)O)C4=CC(=C3OC(C=CC3=C4)(C)C)CC=C(C)C
• InChI: 1S/C25H26O5/c1-14(2)5-6-15-9-17(10-16-7-8-25(3,4)30-24(15)16)21-13-20(28)23-19(27)11-18(26)12-22(23)29-21/h5,7-12,21,26-27H,6,13H2,1-4H3/t21-/m0/s1
• InChIKey: CKTMJKHXYHXNKU-NRFANRHFSA-N

Properties

• Density: 1.231g/cm³ (Cal.)
• Boiling point: 617.708°C at 760 mmHg (Cal.)
• Flash point: 212.203°C (Cal.)