Bersaldegenin 1,3,5-Orthoacetate
[CAS# 23044-66-8]

Identification

• Name: Bersaldegenin 1,3,5-Orthoacetate
• Synonyms: Nci60_000792; Bersaldegenin 1,3,5-Orthoacetate
• Molecular Formula: C₂₆H₃₂O₇
• Molecular Weight: 456.53
• CAS Registry Number: 23044-66-8
• SMILES: CC12OC3C5(C(O1)(CC(O2)C3)CCC6C4(CCC(C4(CCC56)C)C7=COC(C=C7)=O)O)C=O
• InChI: 1S/C26H32O7/c1-22-8-5-18-19(26(22,29)10-7-17(22)15-3-4-21(28)30-13-15)6-9-24-12-16-11-20(25(18,24)14-27)32-23(2,31-16)33-24/h3-4,13-14,16-20,29H,5-12H2,1-2H3
• InChIKey: QMZMTFLDQTWANC-UHFFFAOYSA-N

Properties

• Density: 1.383g/cm³ (Cal.)
• Boiling point: 614.404°C at 760 mmHg (Cal.)
• Flash point: 207.886°C (Cal.)