(3S,5R)-5-[(11R)-11-Hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-Hydroxyundecyl]Oxolan-2-Yl]Oxolan-2-Yl]Undecyl]-3-(2-Oxopropyl)Oxolan-2-One
[CAS# 123012-00-0]

Identification

• Name: (3S,5R)-5-[(11R)-11-Hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-Hydroxyundecyl]Oxolan-2-Yl]Oxolan-2-Yl]Undecyl]-3-(2-Oxopropyl)Oxolan-2-One
• Synonyms: (3S,5R)-3-Acetonyl-5-[(11R)-11-Hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-Hydroxyundecyl]Tetrahydrofuran-2-Yl]Tetrahydrofuran-2-Yl]Undecyl]Tetrahydrofuran-2-One; (3S,5R)-3-Acetonyl-5-[(11R)-11-Hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-Hydroxyundecyl]-2-Tetrahydrofuranyl]-2-Tetrahydrofuranyl]Undecyl]-2-Tetrahydrofuranone; Bullatacinone
• Molecular Formula: C₃₇H₆₆O₇
• Molecular Weight: 622.92
• CAS Registry Number: 123012-00-0
• SMILES: [C@H]1(O[C@H](CC1)[C@H](O)CCCCCCCCCC[C@H]2OC(=O)[C@@H](C2)CC(=O)C)[C@@H]3O[C@H](CC3)[C@@H](O)CCCCCCCCCC
• InChI: 1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29-,30-,31+,32-,33-,34-,35-,36-/m1/s1
• InChIKey: KGGVWMAPBXIMEM-ZRTAFWODSA-N