Ergost-5-Ene-3,7-Diol
[CAS# 64780-73-0]

Identification

• Name: Ergost-5-Ene-3,7-Diol
• Synonyms: (3S,7S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(1R,4R)-1,4,5-Trimethylhexyl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol; Ergost-5-Ene-3Beta,7Alpha-Diol; Ergost-5-Ene-3,7-Diol
• Molecular Formula: C₂₈H₄₈O₂
• Molecular Weight: 416.69
• CAS Registry Number: 64780-73-0
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CC[C@H](C(C)C)C)C)(CC[C@@H]2[C@@]4(C(=C[C@H]3O)C[C@@H](O)CC4)C)C
• InChI: 1S/C28H48O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h16-19,21-26,29-30H,7-15H2,1-6H3/t18-,19-,21+,22-,23+,24+,25-,26+,27+,28-/m1/s1
• InChIKey: QZTNWQQTEVRSMC-COONVOOFSA-N

Properties

• Density: 1.026g/cm³ (Cal.)
• Boiling point: 523.243°C at 760 mmHg (Cal.)
• Flash point: 215.494°C (Cal.)