(1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-Octanoic Acid 9a-(Acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-Decahydro-4a,7b-Dihydroxy-3-(Hydroxymethyl)-1,1,6,8-Tetramethyl-5-Oxo-1H-Cyclopropa(3,4)Benz(1,2-e)Azulen-9-Yl Ester
[CAS# 72416-83-2]

Identification

• Name: (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-Octanoic Acid 9a-(Acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-Decahydro-4a,7b-Dihydroxy-3-(Hydroxymethyl)-1,1,6,8-Tetramethyl-5-Oxo-1H-Cyclopropa(3,4)Benz(1,2-e)Azulen-9-Yl Ester
• Molecular Formula: C₃₀H₄₄O₈
• Molecular Weight: 532.67
• CAS Registry Number: 72416-83-2
• SMILES: [C@@H]12C=C(C([C@]1(CC(=C[C@@H]3[C@@]2([C@@H]([C@H](OC(CCCCCCC)=O)C4([C@H]3C4(C)C)OC(=O)C)C)O)CO)O)=O)C
• InChI: 1S/C30H44O8/c1-7-8-9-10-11-12-23(33)37-26-18(3)29(36)21(24-27(5,6)30(24,26)38-19(4)32)14-20(16-31)15-28(35)22(29)13-17(2)25(28)34/h13-14,18,21-22,24,26,31,35-36H,7-12,15-16H2,1-6H3/t18-,21+,22-,24-,26+,28-,29-,30?/m1/s1
• InChIKey: SGGSFXYVDVXEDS-WNMSSRAZSA-N

Properties

• Density: 1.241g/cm³ (Cal.)
• Boiling point: 642.326°C at 760 mmHg (Cal.)
• Flash point: 201.437°C (Cal.)