21-Acetoxyfriedelan-3-One
[CAS# 84749-92-8]

Identification

• Name: 21-Acetoxyfriedelan-3-One
• Synonyms: Acetic Acid [(3R,4As,6Ar,6As,6Bs,8As,9R,12As,14As,14Br)-2,2,4A,6A,6A,8A,9,14A-Octamethyl-10-Oxo-3,4,5,6,6B,7,8,9,11,12,12A,13,14,14B-Tetradecahydro-1H-Picen-3-Yl] Ester; Acetic Acid [(3R,4As,6Ar,6As,6Bs,8As,9R,12As,14As,14Br)-10-Keto-2,2,4A,6A,6A,8A,9,14A-Octamethyl-3,4,5,6,6B,7,8,9,11,12,12A,13,14,14B-Tetradecahydro-1H-Picen-3-Yl] Ester; [(3R,4As,6Ar,6As,6Bs,8As,9R,12As,14As,14Br)-2,2,4A,6A,6A,8A,9,14A-Octamethyl-10-Oxo-3,4,5,6,6B,7,8,9,11,12,12A,13,14,14B-Tetradecahydro-1H-Picen-3-Yl] Ethanoate
• Molecular Formula: C₃₂H₅₂O₃
• Molecular Weight: 484.76
• CAS Registry Number: 84749-92-8
• SMILES: [C@@H]1(C(CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC([C@H](OC(=O)C)C5)(C)C)C)C)C)C)C)=O)C
• InChI: 1S/C32H52O3/c1-20-22(34)10-11-23-29(20,6)13-12-24-30(23,7)15-17-32(9)25-18-27(3,4)26(35-21(2)33)19-28(25,5)14-16-31(24,32)8/h20,23-26H,10-19H2,1-9H3/t20-,23+,24-,25+,26+,28-,29+,30-,31+,32-/m0/s1
• InChIKey: UTOJOQUKXYZEDT-QDNMNTGMSA-N

Properties

• Density: 1.047g/cm³ (Cal.)
• Boiling point: 523.506°C at 760 mmHg (Cal.)
• Flash point: 216.122°C (Cal.)