Dehydroergosterol
[CAS# 516-85-8]

Identification

• Name: Dehydroergosterol
• Synonyms: (3S,10S,13R,14R,17R)-10,13-Dimethyl-17-[(E,1R,4R)-1,4,5-Trimethylhex-2-Enyl]-2,3,4,12,14,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; Ergosta-5,7,9(11),22-Tetraen-3-Ol, (3Beta,22E)-; Dehydroergosterol
• Molecular Formula: C₂₈H₄₂O
• Molecular Weight: 394.64
• CAS Registry Number: 516-85-8
• SMILES: [C@]24([C@H](C1=CC=C3[C@@](C1=CC2)(CC[C@H](O)C3)C)CC[C@@H]4[C@@H](\C=C\[C@@H](C(C)C)C)C)C
• InChI: 1S/C28H42O/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/h7-10,14,18-20,22,24-25,29H,11-13,15-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,27-,28+/m0/s1
• InChIKey: QSVJYFLQYMVBDR-CMNOFMQQSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 520.6±39.0°C at 760 mmHg (Cal.)
• Flash point: 221.0±19.3°C (Cal.)