(3aR,4S,6aR)-3-Allyl-2,3a,4-trihydroxy-4,5,6,6a-tetrahydro-1(3aH)-pentalenone
[CAS# 652133-04-5]

Identification

• Name: (3aR,4S,6aR)-3-Allyl-2,3a,4-trihydroxy-4,5,6,6a-tetrahydro-1(3aH)-pentalenone
• Synonyms: (3aR,4S,6aR)-3-allyl-2,3a,4-trihydroxy-4,5,6,6a-tetrahydropentalen-1(3aH)-one
• Molecular Formula: C₁₁H₁₄O₄
• Molecular Weight: 210.23
• CAS Registry Number: 652133-04-5
• SMILES: C=CCC1=C(C(=O)[C@H]2[C@@]1([C@H](CC2)O)O)O
• InChI: 1S/C11H14O4/c1-2-3-6-9(13)10(14)7-4-5-8(12)11(6,7)15/h2,7-8,12-13,15H,1,3-5H2/t7-,8-,11-/m0/s1
• InChIKey: XDOSKIPOXKQCPH-LAEOZQHASA-N

Properties

• Density: 1.464g/cm³ (Cal.)
• Boiling point: 411.542°C at 760 mmHg (Cal.)
• Flash point: 216.847°C (Cal.)
• Refractive index: 1.66 (Cal.)