(1S,4abeta)-2-Isopropylidene-5beta-(2-Hydroxy-3-Methyl-5-Methoxybenzyl)-5,6beta,8aalpha-Trimethyldecahydronaphthalene-1-Propionic Acid
[CAS# 55907-34-1]

Identification

• Name: (1S,4abeta)-2-Isopropylidene-5beta-(2-Hydroxy-3-Methyl-5-Methoxybenzyl)-5,6beta,8aalpha-Trimethyldecahydronaphthalene-1-Propionic Acid
• Synonyms: 3-[(1S,4Ar,5S,6S,8Ar)-5-[(2-Hydroxy-5-Methoxy-3-Methyl-Phenyl)Methyl]-2-Isopropylidene-5,6,8A-Trimethyl-Decalin-1-Yl]Propanoic Acid; 3-[(1S,4Ar,5S,6S,8Ar)-5-[(2-Hydroxy-5-Methoxy-3-Methylphenyl)Methyl]-2-Isopropylidene-5,6,8A-Trimethyl-1-Decalinyl]Propanoic Acid; 3-[(1S,4Ar,5S,6S,8Ar)-5-(2-Hydroxy-5-Methoxy-3-Methyl-Benzyl)-2-Isopropylidene-5,6,8A-Trimethyl-Decalin-1-Yl]Propionic Acid
• Molecular Formula: C₂₈H₄₂O₄
• Molecular Weight: 442.64
• CAS Registry Number: 55907-34-1
• SMILES: [C@@H]12[C@]([C@@H](C(CC1)=C(C)C)CCC(=O)O)(CC[C@@H]([C@@]2(CC3=CC(=CC(=C3O)C)OC)C)C)C
• InChI: 1S/C28H42O4/c1-17(2)22-8-10-24-27(5,23(22)9-11-25(29)30)13-12-19(4)28(24,6)16-20-15-21(32-7)14-18(3)26(20)31/h14-15,19,23-24,31H,8-13,16H2,1-7H3,(H,29,30)/t19-,23+,24-,27-,28-/m0/s1
• InChIKey: OZFVNSYPXRUABC-ABYCQCASSA-N

Properties

• Density: 1.056g/cm³ (Cal.)
• Boiling point: 576.564°C at 760 mmHg (Cal.)
• Flash point: 183.238°C (Cal.)