Isotachysterol
[CAS# 469-06-7]

Identification

• Name: Isotachysterol
• Synonyms: (1R)-3-[(E)-2-[(1R,7Ar)-7A-Methyl-1-[(E,1R,4R)-1,4,5-Trimethylhex-2-Enyl]-1,2,3,5,6,7-Hexahydroinden-4-Yl]Vinyl]-4-Methyl-Cyclohex-3-En-1-Ol; (1R)-3-[(E)-2-[(1R,7Ar)-7A-Methyl-1-[(E,1R,4R)-1,4,5-Trimethylhex-2-Enyl]-1,2,3,5,6,7-Hexahydroinden-4-Yl]Vinyl]-4-Methyl-1-Cyclohex-3-Enol; (1R)-3-[(E)-2-[(1R,7Ar)-1-[(E,2R,5R)-5,6-Dimethylhept-3-En-2-Yl]-7A-Methyl-1,2,3,5,6,7-Hexahydroinden-4-Yl]Ethenyl]-4-Methyl-Cyclohex-3-En-1-Ol
• Molecular Formula: C₂₈H₄₄O
• Molecular Weight: 396.66
• CAS Registry Number: 469-06-7
• SMILES: [C@]12([C@H](CCC1=C(CCC2)\C=C\C3=C(CC[C@@H](O)C3)C)[C@@H](\C=C\[C@@H](C(C)C)C)C)C
• InChI: 1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-26,29H,7-8,11,14-18H2,1-6H3/b10-9+,13-12+/t20-,22+,25+,26+,28+/m0/s1
• InChIKey: WHIQZYTVWTZJNO-XASDQFSZSA-N

Properties

• Density: 0.981g/cm³ (Cal.)
• Boiling point: 508.584°C at 760 mmHg (Cal.)
• Flash point: 219.475°C (Cal.)