Epitaondiol
[CAS# 75598-52-6]

Identification

• Name: Epitaondiol
• Synonyms: 16,24-Cyclo-D(17Alpha)-Homo-17A-Oxachola-16,20(22),23-Triene-3,23-Diol, 4,4,8-Trimethyl-, (3Beta,5Alpha,14Beta)-
• Molecular Formula: C₂₇H₄₀O₃
• Molecular Weight: 412.61
• CAS Registry Number: 75598-52-6
• SMILES: [C@@]35([C@@H]2[C@@](OC1=C(C)C=C(C=C1C2)O)(CC[C@@H]3[C@]4(CC[C@@H](C([C@@H]4CC5)(C)C)O)C)C)C
• InChI: 1S/C27H40O3/c1-16-13-18(28)14-17-15-21-26(5)10-7-19-24(2,3)22(29)9-11-25(19,4)20(26)8-12-27(21,6)30-23(16)17/h13-14,19-22,28-29H,7-12,15H2,1-6H3/t19-,20+,21+,22-,25-,26+,27-/m0/s1
• InChIKey: LRMHPGVONLYGQD-GGQWBCBCSA-N

Properties

• Density: 1.093g/cm³ (Cal.)
• Boiling point: 532.321°C at 760 mmHg (Cal.)
• Flash point: 275.738°C (Cal.)