17beta(H), 21beta(H)-Hopane
[CAS# 471-62-5]

Identification

• Classification: Organic raw materials >> Carboxylic compounds and derivatives >> Carboxylic esters and their derivatives
• Name: 17beta(H), 21beta(H)-Hopane
• Synonyms: Chebi:36482; 17H,21H-Hopane; A'-Neogammacerane
• Molecular Formula: C₃₀H₅₂
• Molecular Weight: 412.74
• CAS Registry Number: 471-62-5
• SMILES: [C@@]35([C@]2([C@@H]([C@@]1([C@H](C(CCC1)(C)C)CC2)C)CC[C@@H]3[C@@]4([C@H]([C@H](CC4)C(C)C)CC5)C)C)C
• InChI: 1S/C30H52/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h20-25H,9-19H2,1-8H3/t21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1
• InChIKey: ZRLNBWWGLOPJIC-PYQRSULMSA-N

Properties

• Density: 0.925g/cm³ (Cal.)
• Boiling point: 457.407°C at 760 mmHg (Cal.)
• Flash point: 221.837°C (Cal.)

References

• (1): M. Russell, L. Webster, P. Walsham, G. Packer, E. J. Dalgarno, A. D. McIntosh, R. J. Fryer and C. F. Moffat. Composition and concentration of hydrocarbons in sediment samples from the oil producing area of the East Shetland Basin, Scotland, J. Environ. Monit., 2008, 10, 559.