(1alpha,5aalpha,6beta,8beta,8aalpha,10R*,11S*)-8-(Acetyloxy)-10-(Benzoyloxy)Hexahydro-8a,11-Dihydroxy-1,6,11-Trimethyl-1,5a-Propano-5aH-Cyclopent(d)Oxepin-4(5H)-One
[CAS# 144923-90-0]

Identification

• Name: (1alpha,5aalpha,6beta,8beta,8aalpha,10R*,11S*)-8-(Acetyloxy)-10-(Benzoyloxy)Hexahydro-8a,11-Dihydroxy-1,6,11-Trimethyl-1,5a-Propano-5aH-Cyclopent(d)Oxepin-4(5H)-One
• Synonyms: Isodunnianin
• Molecular Formula: C₂₄H₃₀O₈
• Molecular Weight: 446.50
• CAS Registry Number: 144923-90-0
• SMILES: C4=C(C(OC2C(O)(C3(C1(O)C(C(CC1OC(=O)C)C)(C2)CC(OC3)=O)C)C)=O)C=CC=C4
• InChI: 1S/C24H30O8/c1-14-10-17(31-15(2)25)24(29)21(3)13-30-19(26)12-23(14,24)11-18(22(21,4)28)32-20(27)16-8-6-5-7-9-16/h5-9,14,17-18,28-29H,10-13H2,1-4H3
• InChIKey: GXBPVUSOWHQLOF-UHFFFAOYSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 589.729°C at 760 mmHg (Cal.)
• Flash point: 197.859°C (Cal.)