(8xi,22E)-Ergosta-4,22-Dien-3-One
[CAS# 4030-92-6]

Identification

• Name: (8xi,22E)-Ergosta-4,22-Dien-3-One
• Synonyms: Brassicasterone; Ergosta-4,22-dien-3-one
• Molecular Formula: C₂₈H₄₄O
• Molecular Weight: 396.65
• CAS Registry Number: 4030-92-6
• SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2CCC4=CC(=O)CC[C@]34C)C
• InChI: 1S/C28H44O/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/h7-8,17-20,23-26H,9-16H2,1-6H3/b8-7+/t19-,20+,23?,24+,25-,26-,27-,28+/m0/s1
• InChIKey: OWYXOXZSAKVGHJ-UETSRXSTSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 490.8±12.0°C at 760 mmHg (Cal.)
• Flash point: 253.5±10.4°C (Cal.)