(R,S)-17H,21H-Homohopane
[CAS# 53584-62-6]

Identification

• Name: (R,S)-17H,21H-Homohopane
• Synonyms: 22-Ethyl-A'-Neo-30-Norgammacerane; A'-Neo-30-Norgammacerane, 22-Ethyl-
• Molecular Formula: C₃₁H₅₄
• Molecular Weight: 426.77
• CAS Registry Number: 53584-62-6
• SMILES: [C@@H]14[C@]([C@]2([C@H](CC1)[C@]3(C)[C@@H](CC2)[C@H](CC3)C(C)CC)C)(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C
• InChI: 1S/C31H54/c1-9-21(2)22-13-18-28(5)23(22)14-19-30(7)25(28)11-12-26-29(6)17-10-16-27(3,4)24(29)15-20-31(26,30)8/h21-26H,9-20H2,1-8H3/t21?,22-,23+,24+,25-,26-,28+,29+,30-,31-/m1/s1
• InChIKey: QFBGIDMRCNNMIW-HDBRRRMTSA-N

Properties

• Density: 0.922g/cm³ (Cal.)
• Boiling point: 470.549°C at 760 mmHg (Cal.)
• Flash point: 229.27°C (Cal.)