Taxodone
[CAS# 19039-02-2]

Identification

• Name: Taxodone
• Synonyms: (4Bs,8As,9S)-4,9-Dihydroxy-2-Isopropyl-4B,8,8-Trimethyl-6,7,8A,9-Tetrahydro-5H-Phenanthren-3-One; Nsc122420; C09196
• Molecular Formula: C₂₀H₂₈O₃
• Molecular Weight: 316.44
• CAS Registry Number: 19039-02-2
• SMILES: [C@]23(C1=C(C(C(=CC1=C[C@H](O)[C@H]2C(C)(C)CCC3)C(C)C)=O)O)C
• InChI: 1S/C20H28O3/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/h9-11,14,18,21,23H,6-8H2,1-5H3/t14-,18-,20+/m0/s1
• InChIKey: QEAIMIKGLGBTSA-ADLFWFRXSA-N

Properties

• Density: 1.151g/cm³ (Cal.)
• Boiling point: 520.418°C at 760 mmHg (Cal.)
• Flash point: 282.62°C (Cal.)