Methyl 4-({2-[(1R,2R,3S)-3-Hydroxy-2-{(1E)-3-Hydroxy-4-[3-(Methoxymethyl)Phenyl]-1-Buten-1-Yl}-5-Oxocyclopentyl]Ethyl}Sulfanyl)Butanoate
[CAS# 256382-08-8]

Identification

• Name: Methyl 4-({2-[(1R,2R,3S)-3-Hydroxy-2-{(1E)-3-Hydroxy-4-[3-(Methoxymethyl)Phenyl]-1-Buten-1-Yl}-5-Oxocyclopentyl]Ethyl}Sulfanyl)Butanoate
• Molecular Formula: C₂₄H₃₄O₆S
• Molecular Weight: 450.59
• CAS Registry Number: 256382-08-8
• SMILES: O=C2C[C@H](O)[C@H](/C=C/C(O)Cc1cccc(c1)COC)[C@H]2CCSCCCC(=O)OC
• InChI: 1S/C24H34O6S/c1-29-16-18-6-3-5-17(13-18)14-19(25)8-9-20-21(23(27)15-22(20)26)10-12-31-11-4-7-24(28)30-2/h3,5-6,8-9,13,19-22,25-26H,4,7,10-12,14-16H2,1-2H3/b9-8+/t19?,20-,21-,22+/m1/s1
• InChIKey: FBQUXLIJKPWCAO-SXCICUGXSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 598.194°C at 760 mmHg (Cal.)
• Flash point: 315.576°C (Cal.)
• Refractive index: 1.589 (Cal.)