(+)-Mollisacacidin
[CAS# 967-27-1]

Identification

• Name: (+)-Mollisacacidin
• Synonyms: 2H-1-Benzopyran-3,4,7-Triol, 2-(3,4-Dihydroxyphenyl)-3,4-Dihydro-, (2R-(2Alpha,3Beta,4Alpha))-; Oprea1_313830; (2R-(2Alpha,3Beta,4Alpha))-2-(3,4-Dihydroxyphenyl)-3,4-Dihydro-2H-1-Benzopyran-3,4,7-Triol
• Molecular Formula: C₁₅H₁₄O₆
• Molecular Weight: 290.27
• CAS Registry Number: 967-27-1
• SMILES: [C@@H]2(OC1=CC(=CC=C1[C@@H](O)[C@@H]2O)O)C3=CC(=C(C=C3)O)O
• InChI: 1S/C15H14O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,13-20H/t13-,14+,15-/m1/s1
• InChIKey: OFZBQQUVMQGHDJ-QLFBSQMISA-N

Properties

• Density: 1.606g/cm³ (Cal.)
• Boiling point: 583.113°C at 760 mmHg (Cal.)
• Flash point: 306.456°C (Cal.)