(3S)-1,3,4,4Aalpha,5,6,7,11,12,12Abeta-Decahydro-3alpha,5alpha,6alpha,11beta,12alpha-Pentahydroxy-9,12Abeta,13,13-Tetramethyl-4-Methylene-6,10-Methanobenzocyclodecen-8(2H)-One
[CAS# 5308-89-4]

Identification

• Name: (3S)-1,3,4,4Aalpha,5,6,7,11,12,12Abeta-Decahydro-3alpha,5alpha,6alpha,11beta,12alpha-Pentahydroxy-9,12Abeta,13,13-Tetramethyl-4-Methylene-6,10-Methanobenzocyclodecen-8(2H)-One
• Molecular Formula: C₂₀H₃₀O₆
• Molecular Weight: 366.45
• CAS Registry Number: 5308-89-4
• SMILES: O[C@H]2\C3=C(/C)C(=O)CC(O)([C@@H](O)C1C(=C)[C@@H](O)CCC1(C)C2O)C3(C)C
• InChI: 1S/C20H30O6/c1-9-11(21)6-7-19(5)14(9)16(24)20(26)8-12(22)10(2)13(18(20,3)4)15(23)17(19)25/h11,14-17,21,23-26H,1,6-8H2,2-5H3/t11-,14?,15-,16-,17?,19?,20?/m0/s1
• InChIKey: LLKFEECMDHWJRZ-LRYHQGNDSA-N

Properties

• Density: 1.321g/cm³ (Cal.)
• Boiling point: 553.56°C at 760 mmHg (Cal.)
• Flash point: 302.642°C (Cal.)