Methyl 4-[[(3aR,4R,5R,6aS)-5-Hydroxy-4-[(E,3S)-3-Hydroxyoct-1-Enyl]-3,3a,4,5,6,6a-Hexahydrocyclopenta[d]Pyrrol-2-Yl]Sulfanyl]Butanoate
[CAS# 75111-35-2]

Identification

• Name: Methyl 4-[[(3aR,4R,5R,6aS)-5-Hydroxy-4-[(E,3S)-3-Hydroxyoct-1-Enyl]-3,3a,4,5,6,6a-Hexahydrocyclopenta[d]Pyrrol-2-Yl]Sulfanyl]Butanoate
• Synonyms: 4-[[(3Ar,4R,5R,6As)-5-Hydroxy-4-[(E,3S)-3-Hydroxyoct-1-Enyl]-3,3A,4,5,6,6A-Hexahydrocyclopenta[D]Pyrrol-2-Yl]Thio]Butanoic Acid Methyl Ester; 4-[[(3Ar,4R,5R,6As)-5-Hydroxy-4-[(E,3S)-3-Hydroxyoct-1-Enyl]-3,3A,4,5,6,6A-Hexahydrocyclopenta[D]Pyrrol-2-Yl]Thio]Butyric Acid Methyl Ester; Hoe-892
• Molecular Formula: C₂₀H₃₃NO₄S
• Molecular Weight: 383.55
• CAS Registry Number: 75111-35-2
• SMILES: [C@@H]12[C@@H](N=C(C1)SCCCC(OC)=O)C[C@H]([C@@H]2\C=C\[C@H](CCCCC)O)O
• InChI: 1S/C20H33NO4S/c1-3-4-5-7-14(22)9-10-15-16-12-19(21-17(16)13-18(15)23)26-11-6-8-20(24)25-2/h9-10,14-18,22-23H,3-8,11-13H2,1-2H3/b10-9+/t14-,15+,16+,17-,18+/m0/s1
• InChIKey: TUOQTRVLPKMMDB-KNAQOGQBSA-N

Properties

• Density: 1.224g/cm³ (Cal.)
• Boiling point: 506.861°C at 760 mmHg (Cal.)
• Flash point: 260.34°C (Cal.)