(6aR,10aR)-3-amyl-1-hydroxy-6,6-dimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
[CAS# 56354-06-4]

Identification

• Name: (6aR,10aR)-3-amyl-1-hydroxy-6,6-dimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
• Synonyms: (6Ar,10Ar)-3-Amyl-1-Hydroxy-6,6-Dimethyl-6A,7,8,10A-Tetrahydrobenzo[C]Chromene-9-Carboxylic Acid; 6H-Dibenzo(B,D)Pyran-9-Carboxylic Acid, 6A,7,8,10A-Tetrahydro-1-Hydroxy-6,6-Dimethyl-3-Pentyl-, (6Ar,10Ar)-; 6H-Dibenzo(B,D)Pyran-9-Carboxylic Acid, 6A,7,8,10A-Tetrahydro-1-Hydroxy-6,6-Dimethyl-3-Pentyl-, (6Ar-Trans)-
• Molecular Formula: C₂₁H₂₈O₄
• Molecular Weight: 344.45
• CAS Registry Number: 56354-06-4
• SMILES: [C@H]12C3=C(OC([C@@H]1CCC(=C2)C(O)=O)(C)C)C=C(CCCCC)C=C3O
• InChI: 1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1
• InChIKey: YOVRGSHRZRJTLZ-HZPDHXFCSA-N

Properties

• Density: 1.141g/cm³ (Cal.)
• Boiling point: 466.883°C at 760 mmHg (Cal.)
• Flash point: 158.096°C (Cal.)