22,23-Dihydrobrassicasterol
[CAS# 4651-51-8]

Identification

• Name: 22,23-Dihydrobrassicasterol
• Synonyms: (3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(1R,4S)-1,4,5-Trimethylhexyl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; Lmst01030096; Ergost-5-En-3Beta-Ol
• Molecular Formula: C₂₈H₄₈O
• Molecular Weight: 400.69
• CAS Registry Number: 4651-51-8
• 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(=CC3)C[C@@H](O)CC4)C)C
• InChI: 1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1
• InChIKey: SGNBVLSWZMBQTH-ZRUUVFCLSA-N

Properties

• Density: 0.982g/cm³ (Cal.)
• Boiling point: 489.484°C at 760 mmHg (Cal.)
• Flash point: 214.328°C (Cal.)

References

• (1): Mikhail Yu. Berezin, John M. Dzenitis, B. Mason Hughes and Sa V. Ho. Separation of sterols using zeolites, Phys. Chem. Chem. Phys., 2001, 3, 2184.