2-[(4bS,8aS)-1-Hydroxy-10-Methoxy-4b,8,8-Trimethyl-3,4-Dioxo-5,6,7,8a,9,10-Hexahydrophenanthren-2-Yl]Propyl Acetate
[CAS# 109974-33-6]

Identification

• Name: 2-[(4bS,8aS)-1-Hydroxy-10-Methoxy-4b,8,8-Trimethyl-3,4-Dioxo-5,6,7,8a,9,10-Hexahydrophenanthren-2-Yl]Propyl Acetate
• Synonyms: Acetic Acid 2-[(4Bs,8As)-1-Hydroxy-10-Methoxy-4B,8,8-Trimethyl-3,4-Dioxo-5,6,7,8A,9,10-Hexahydrophenanthren-2-Yl]Propyl Ester; Acetic Acid 2-[(4Bs,8As)-1-Hydroxy-3,4-Diketo-10-Methoxy-4B,8,8-Trimethyl-5,6,7,8A,9,10-Hexahydrophenanthren-2-Yl]Propyl Ester; 2-[(4Bs,8As)-1-Hydroxy-10-Methoxy-4B,8,8-Trimethyl-3,4-Dioxo-5,6,7,8A,9,10-Hexahydrophenanthren-2-Yl]Propyl Ethanoate
• Molecular Formula: C₂₃H₃₂O₆
• Molecular Weight: 404.50
• CAS Registry Number: 109974-33-6
• SMILES: [C@@H]12[C@](CCCC1(C)C)(C3=C(C(OC)C2)C(=C(C(=O)C3=O)C(COC(=O)C)C)O)C
• InChI: 1S/C23H32O6/c1-12(11-29-13(2)24)16-19(25)17-14(28-6)10-15-22(3,4)8-7-9-23(15,5)18(17)21(27)20(16)26/h12,14-15,25H,7-11H2,1-6H3/t12?,14?,15-,23-/m0/s1
• InChIKey: IFFRMUPHOJDCJS-RXIKFYCZSA-N

Properties

• Density: 1.194g/cm³ (Cal.)
• Boiling point: 507.271°C at 760 mmHg (Cal.)
• Flash point: 166.614°C (Cal.)