(2-Acetyloxy-3-Hydroxypropyl) (1R,2S,4aS,4bS,10aS)-2,4A,8,8,10alpha-Pentamethyl-2,3,4,4B,5,6,7,10-Octahydro-1H-Phenanthrene-1-Carboxylate
[CAS# 115712-99-7]

Identification

• Name: (2-Acetyloxy-3-Hydroxypropyl) (1R,2S,4aS,4bS,10aS)-2,4A,8,8,10alpha-Pentamethyl-2,3,4,4B,5,6,7,10-Octahydro-1H-Phenanthrene-1-Carboxylate
• Synonyms: (2-Acetoxy-3-Hydroxy-Propyl) (1R,2S,4As,4Bs,10As)-2,4A,8,8,10A-Pentamethyl-2,3,4,4B,5,6,7,10-Octahydro-1H-Phenanthrene-1-Carboxylate; (1R,2S,4As,4Bs,10As)-2,4A,8,8,10A-Pentamethyl-2,3,4,4B,5,6,7,10-Octahydro-1H-Phenanthrene-1-Carboxylic Acid (2-Acetoxy-3-Hydroxypropyl) Ester; (1R,2S,4As,4Bs,10As)-2,4A,8,8,10A-Pentamethyl-2,3,4,4B,5,6,7,10-Octahydro-1H-Phenanthrene-1-Carboxylic Acid (2-Acetoxy-3-Hydroxy-Propyl) Ester
• Molecular Formula: C₂₅H₄₀O₅
• Molecular Weight: 420.59
• CAS Registry Number: 115712-99-7
• SMILES: [C@@]23([C@]([C@@H]1CCCC(C1=CC2)(C)C)(CC[C@@H]([C@H]3C(OCC(OC(=O)C)CO)=O)C)C)C
• InChI: 1S/C25H40O5/c1-16-9-12-24(5)20-8-7-11-23(3,4)19(20)10-13-25(24,6)21(16)22(28)29-15-18(14-26)30-17(2)27/h10,16,18,20-21,26H,7-9,11-15H2,1-6H3/t16-,18?,20+,21-,24-,25-/m0/s1
• InChIKey: SNAPRBPUTMWLTO-JLQDTDLSSA-N

Properties

• Density: 1.1g/cm³ (Cal.)
• Boiling point: 488.591°C at 760 mmHg (Cal.)
• Flash point: 152.584°C (Cal.)