(1S,4aS,10aR)-1,4a-Dimethyl-6-Oxo-3,4,7,8,10,10a-Hexahydro-2H-Phenanthrene-1-Carboxylic Acid
[CAS# 33169-07-2]

Identification

• Name: (1S,4aS,10aR)-1,4a-Dimethyl-6-Oxo-3,4,7,8,10,10a-Hexahydro-2H-Phenanthrene-1-Carboxylic Acid
• Synonyms: (1S,4As,10Ar)-6-Keto-1,4A-Dimethyl-3,4,7,8,10,10A-Hexahydro-2H-Phenanthrene-1-Carboxylic Acid; 1-Phenanthrenecarboxylic Acid, 1,2,3,4,4A,6,7,8,10,10A-Decahydro-1,4A-Dimethyl-6-Oxo-, [1S-(1.Alpha.,4A.Alpha.,10A.Beta.)]-; Aids-030573
• Molecular Formula: C₁₇H₂₂O₃
• Molecular Weight: 274.36
• CAS Registry Number: 33169-07-2
• SMILES: [C@]23(C1=CC(=O)CCC1=CC[C@H]2[C@@](C(=O)O)(CCC3)C)C
• InChI: 1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h5,10,14H,3-4,6-9H2,1-2H3,(H,19,20)/t14-,16-,17+/m1/s1
• InChIKey: GGTHDIPRPUXPMX-OIISXLGYSA-N

Properties

• Density: 1.185g/cm³ (Cal.)
• Boiling point: 476.851°C at 760 mmHg (Cal.)
• Flash point: 256.301°C (Cal.)