[(5S,8S,9S,10S,13S,14S,17S)-2,10,13-Trimethyl-4,5,6,7,8,9,11,12,14,15, 16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
[CAS# 974-99-2]

Identification

• Name: [(5S,8S,9S,10S,13S,14S,17S)-2,10,13-Trimethyl-4,5,6,7,8,9,11,12,14,15, 16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
• Synonyms: Acetic Acid [(5S,8R,9S,10S,13S,14S,17S)-2,10,13-Trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; [(5S,8R,9S,10S,13S,14S,17S)-2,10,13-Trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthre
• Molecular Formula: C₂₂H₃₄O₂
• Molecular Weight: 330.51
• CAS Registry Number: 974-99-2
• SMILES: [C@@H]3(CC[C@H]4[C@@H]2CC[C@H]1CC=C(C)C[C@@]1([C@H]2CC[C@]34C)C)OC(=O)C
• InChI: 1S/C22H34O2/c1-14-5-6-16-7-8-17-18-9-10-20(24-15(2)23)21(18,3)12-11-19(17)22(16,4)13-14/h5,16-20H,6-13H2,1-4H3/t16-,17+,18+,19+,20+,21+,22+/m1/s1
• InChIKey: BNUOBHYLRSENSB-BHXFFAOXSA-N

Properties

• Density: 1.049g/cm³ (Cal.)
• Boiling point: 400.864°C at 760 mmHg (Cal.)
• Flash point: 190.947°C (Cal.)