3-Hydroxydiploptene
[CAS# 4966-00-1]

Identification

• Name: 3-Hydroxydiploptene
• Synonyms: D:C-Friedo-B':A'-Neogammacer-9(11)-En-3-Ol, (3Beta)-
• Molecular Formula: C₃₀H₅₀O
• Molecular Weight: 426.72
• CAS Registry Number: 4966-00-1
• SMILES: [C@@]14([C@@](C3C(=CC1)[C@@]2(C(C([C@H](CC2)O)(C)C)CC3)C)(CC[C@]5(C4CC[C@@H]5C(C)C)C)C)C
• InChI: 1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-25,31H,9-12,14-18H2,1-8H3/t20-,22?,23?,24?,25+,27-,28-,29-,30+/m1/s1
• InChIKey: VWYANPOOORUCFJ-MDKQJYPSSA-N

Properties

• Density: 1.012g/cm³ (Cal.)
• Boiling point: 493.346°C at 760 mmHg (Cal.)
• Flash point: 218.438°C (Cal.)