7beta,8-Epoxy-3beta,11alpha,14-Trihydroxy-12-Oxo-5beta-Card-20(22)-Enolide
[CAS# 22146-03-8]

Identification

• Name: 7beta,8-Epoxy-3beta,11alpha,14-Trihydroxy-12-Oxo-5beta-Card-20(22)-Enolide
• Molecular Formula: C₂₃H₃₀O₇
• Molecular Weight: 418.48
• CAS Registry Number: 22146-03-8
• SMILES: O=C1/C=C(\CO1)[C@H]2CC[C@@]5(O)[C@]2(C)C(=O)[C@@H](O)[C@@H]4[C@@]6(C)CC[C@H](O)C[C@H]6C[C@@H]3O[C@@]345
• InChI: 1S/C23H30O7/c1-20-5-3-13(24)8-12(20)9-15-23(30-15)18(20)17(26)19(27)21(2)14(4-6-22(21,23)28)11-7-16(25)29-10-11/h7,12-15,17-18,24,26,28H,3-6,8-10H2,1-2H3/t12-,13-,14+,15-,17-,18+,20-,21-,22+,23-/m0/s1
• InChIKey: ACXJWHRFZUSCNC-QBOSKRDWSA-N

Properties

• Density: 1.444g/cm³ (Cal.)
• Boiling point: 681.806°C at 760 mmHg (Cal.)
• Flash point: 239.309°C (Cal.)
• Refractive index: 1.638 (Cal.)