26,27-Dinorergost-5-En-3beta-Ol Benzoate
[CAS# 58003-48-8]

Identification

• Name: 26,27-Dinorergost-5-En-3beta-Ol Benzoate
• Synonyms: [3-(1,1-Dimethylpentyl)-3A,11A-Dimethyl-2,3,4,5,5A,6,8,9,10,11,11B,11C-Dodecahydro-1H-Cyclopenta[G]Phenanthren-9-Yl] Benzoate; Benzoic Acid [3-(1,1-Dimethylpentyl)-3A,11A-Dimethyl-2,3,4,5,5A,6,8,9,10,11,11B,11C-Dodecahydro-1H-Cyclopenta[G]Phenanthren-9-Yl] Ester; 26,27-Dinorergost-5-En-3-Ol (3-Beta)
• Molecular Formula: C₃₃H₄₈O₂
• Molecular Weight: 476.74
• CAS Registry Number: 58003-48-8
• SMILES: C1=CC=CC=C1C(=O)OC5CCC4(C3C2C(C(CC2)C(CCCC)(C)C)(CCC3CC=C4C5)C)C
• InChI: 1S/C33H48O2/c1-6-7-19-31(2,3)28-16-15-27-29-23(17-20-33(27,28)5)13-14-25-22-26(18-21-32(25,29)4)35-30(34)24-11-9-8-10-12-24/h8-12,14,23,26-29H,6-7,13,15-22H2,1-5H3
• InChIKey: PKNPJOWOAPCDLZ-UHFFFAOYSA-N

Properties

• Density: 1.049g/cm³ (Cal.)
• Boiling point: 551.424°C at 760 mmHg (Cal.)
• Flash point: 247.749°C (Cal.)