(2R,4R,8S,13R,15R,19S)-8,19-Dibutyl-4,15-dichloro-2,13-dimethoxytricyclo[18.2.2.29,12]hexacosa-9,11,20,22(1),23,25-hexene-10,21,24,26-tetrol
[CAS 126693-93-4]

Identification

• Name: (2R,4R,8S,13R,15R,19S)-8,19-Dibutyl-4,15-dichloro-2,13-dimethoxytricyclo[18.2.2.29,12]hexacosa-9,11,20,22(1),23,25-hexene-10,21,24,26-tetrol
• Molecular Formula: C₃₆H₅₄Cl₂O₆
• Molecular Weight: 653.73
• CAS Registry Number: 126693-93-4
• SMILES: [C@@H]2(C1=CC(=C(C(=C1)O)[C@H](CCC[C@H](C[C@H](C3=CC(=C([C@H](CCC[C@H](C2)Cl)CCCC)C(=C3)O)O)OC)Cl)CCCC)O)OC
• InChI: 1S/C36H54Cl2O6/c1-5-7-11-23-13-9-15-27(37)21-34(44-4)26-19-31(41)36(32(42)20-26)24(12-8-6-2)14-10-16-28(38)22-33(43-3)25-17-29(39)35(23)30(40)18-25/h17-20,23-24,27-28,33-34,39-42H,5-16,21-22H2,1-4H3/t23-,24-,27+,28+,33+,34+/m0/s1
• InChIKey: FYBKUFIZQMYJHP-QENHJSLFSA-N

Properties

• Density: 1.2g/cm³ (Cal.)
• Boiling point: 817.744°C at 760 mmHg (Cal.)
• Flash point: 448.356°C (Cal.)