(-)-Ptilosarcone
[CAS# 64597-86-0]

Identification

• Name: (-)-Ptilosarcone
• Molecular Formula: C₂₈H₃₇ClO₁₀
• Molecular Weight: 569.05
• CAS Registry Number: 64597-86-0
• SMILES: [C@@]12([C@@H](OC([C@@H]1C)=O)[C@H](C(\C=C/[C@@H]([C@@]3([C@@H]([C@@H]2OC(=O)C)[C@H](C(C[C@@H]3OC(=O)CCC)=O)C)C)OC(=O)C)=C)Cl)O
• InChI: 1S/C28H37ClO10/c1-8-9-21(33)38-20-12-18(32)14(3)22-24(37-17(6)31)28(35)15(4)26(34)39-25(28)23(29)13(2)10-11-19(27(20,22)7)36-16(5)30/h10-11,14-15,19-20,22-25,35H,2,8-9,12H2,1,3-7H3/b11-10-/t14-,15-,19-,20-,22+,23-,24-,25-,27-,28+/m0/s1
• InChIKey: HMDJRTOEGJOHTB-UUVKGRLKSA-N

Properties

• Density: 1.289g/cm³ (Cal.)
• Boiling point: 635.639°C at 760 mmHg (Cal.)
• Flash point: 338.223°C (Cal.)