1,1abeta,4,5,7,8,9,9abeta-Octahydro-3-Hydroxy-1,1,2,5a-Tetramethyl-7-Methylene-6H-Cyclopropa[3,4]Cyclohepta[1,2-e]Indene-6-One
[CAS# 71424-66-3]

Identification

• Name: 1,1abeta,4,5,7,8,9,9abeta-Octahydro-3-Hydroxy-1,1,2,5a-Tetramethyl-7-Methylene-6H-Cyclopropa[3,4]Cyclohepta[1,2-e]Indene-6-One
• Synonyms: Ccris 1441; Jatropholone A
• Molecular Formula: C₂₀H₂₄O₂
• Molecular Weight: 296.41
• CAS Registry Number: 71424-66-3
• SMILES: [C@H]4(C(C1=C(C(=C(C2=C1C(=C)CCC3C2C3(C)C)C)O)C4)=O)C
• InChI: 1S/C20H24O2/c1-9-6-7-13-17(20(13,4)5)15-11(3)19(22)12-8-10(2)18(21)16(12)14(9)15/h10,13,17,22H,1,6-8H2,2-5H3/t10-,13?,17?/m0/s1
• InChIKey: BMHPRIPRPDSKRK-ITNLDZRZSA-N

Properties

• Density: 1.174g/cm³ (Cal.)
• Boiling point: 482.076°C at 760 mmHg (Cal.)
• Flash point: 204.731°C (Cal.)