(3S,5R)-3-(2-Oxopropyl)-5-[5-[(2R,5S)-5-[(Z,1S,4R,5R)-1,4,5-Trihydroxyhenicos-8-Enyl]Oxolan-2-Yl]Pentyl]Oxolan-2-One
[CAS# 177535-01-2]

Identification

• Name: (3S,5R)-3-(2-Oxopropyl)-5-[5-[(2R,5S)-5-[(Z,1S,4R,5R)-1,4,5-Trihydroxyhenicos-8-Enyl]Oxolan-2-Yl]Pentyl]Oxolan-2-One
• Synonyms: (3S,5R)-3-Acetonyl-5-[5-[(2R,5S)-5-[(Z,1S,4R,5R)-1,4,5-Trihydroxyhenicos-8-Enyl]Tetrahydrofuran-2-Yl]Pentyl]Tetrahydrofuran-2-One; (3S,5R)-3-Acetonyl-5-[5-[(2R,5S)-5-[(Z,1S,4R,5R)-1,4,5-Trihydroxyhenicos-8-Enyl]-2-Tetrahydrofuranyl]Pentyl]-2-Tetrahydrofuranone; 2,4-Cis-Gigantetroneninone
• Molecular Formula: C₃₇H₆₆O₇
• Molecular Weight: 622.92
• CAS Registry Number: 177535-01-2
• SMILES: [C@@H]1(O[C@@H](CC1)CCCCC[C@H]2OC(=O)[C@@H](C2)CC(=O)C)[C@@H](O)CC[C@@H](O)[C@H](O)CC\C=C/CCCCCCCCCCCC
• InChI: 1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-33(39)34(40)24-25-35(41)36-26-23-31(43-36)20-17-16-18-21-32-28-30(27-29(2)38)37(42)44-32/h14-15,30-36,39-41H,3-13,16-28H2,1-2H3/b15-14-/t30-,31-,32-,33-,34-,35+,36+/m1/s1
• InChIKey: JOJQJBPJRVKXKC-ITGCIYSMSA-N

Properties

• Density: 1.027g/cm³ (Cal.)
• Boiling point: 768.046°C at 760 mmHg (Cal.)
• Flash point: 227.476°C (Cal.)