Ergosta-7,22-dien-17-ol-3-one
[CAS# 118230-93-6]

Identification

• Name: Ergosta-7,22-dien-17-ol-3-one
• Synonyms: (9R,10S,13S,14S,17S)-17-Hydroxy-10,13-Dimethyl-17-[(E,1R,4R)-1,4,5-Trimethylhex-2-Enyl]-2,4,5,6,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; Edoo; Ergosta-7,22-Dien-17-Ol-3-One
• Molecular Formula: C₂₈H₄₄O₂
• Molecular Weight: 412.65
• CAS Registry Number: 118230-93-6
• SMILES: [C@H]12[C@@]([C@](O)(CC1)[C@@H](\C=C\[C@@H](C(C)C)C)C)(CC[C@H]3C2=CCC4[C@@]3(CCC(=O)C4)C)C
• InChI: 1S/C28H44O2/c1-18(2)19(3)7-8-20(4)28(30)16-13-25-23-10-9-21-17-22(29)11-14-26(21,5)24(23)12-15-27(25,28)6/h7-8,10,18-21,24-25,30H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21?,24-,25-,26-,27-,28-/m0/s1
• InChIKey: NZLLFTZORMKXLC-GQAQTOSXSA-N

Properties

• Density: 1.038g/cm³ (Cal.)
• Boiling point: 507.767°C at 760 mmHg (Cal.)
• Flash point: 214.964°C (Cal.)