Taxodione
[CAS# 19026-31-4]

Identification

• Name: Taxodione
• Synonyms: (4Bs,8As)-4-Hydroxy-2-Isopropyl-4B,8,8-Trimethyl-5,6,7,8A-Tetrahydrophenanthrene-3,9-Dione; (4Bs,8As)-4-Hydroxy-2-Isopropyl-4B,8,8-Trimethyl-5,6,7,8A-Tetrahydrophenanthrene-3,9-Quinone; 3,9-Phenanthrenedione, 4B,5,6,7,8,8A-Hexahydro-4-Hydroxy-4B,8,8-Trimethyl-2-(1-Methylethyl)-, (4Bs,8As)-
• Molecular Formula: C₂₀H₂₆O₃
• Molecular Weight: 314.42
• CAS Registry Number: 19026-31-4
• SMILES: [C@H]23[C@@](C1=C(O)C(=O)C(=CC1=CC2=O)C(C)C)(CCCC3(C)C)C
• InChI: 1S/C20H26O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,18,23H,6-8H2,1-5H3/t18-,20+/m0/s1
• InChIKey: FNNZMRSRVYUVQT-AZUAARDMSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 469.8±45.0°C at 760 mmHg (Cal.)
• Flash point: 252.1±25.2°C (Cal.)