8-Hydroxy-6-Methoxy-1,4a-Dimethyl-7-Propan-2-Yl-4,9,10,10a-Tetrahydro-3H-Phenanthrene-2-Carboxylic Acid
[CAS# 139953-20-1]

Identification

• Name: 8-Hydroxy-6-Methoxy-1,4a-Dimethyl-7-Propan-2-Yl-4,9,10,10a-Tetrahydro-3H-Phenanthrene-2-Carboxylic Acid
• Synonyms: 8-Hydroxy-7-Isopropyl-6-Methoxy-1,4A-Dimethyl-4,9,10,10A-Tetrahydro-3H-Phenanthrene-2-Carboxylic Acid; 2-Phenanthrenecarboxylic Acid, 3,4,4A,9,10,10A-Hexahydro-8-Hydroxy-6-Methoxy-1,4A-Dimethyl-7-(1-Methylethyl)-; Triptonoditerpenic Acid
• Molecular Formula: C₂₁H₂₈O₄
• Molecular Weight: 344.45
• CAS Registry Number: 139953-20-1
• SMILES: C1=C(OC)C(=C(O)C3=C1C2(C(C(=C(CC2)C(=O)O)C)CC3)C)C(C)C
• InChI: 1S/C21H28O4/c1-11(2)18-17(25-5)10-16-14(19(18)22)6-7-15-12(3)13(20(23)24)8-9-21(15,16)4/h10-11,15,22H,6-9H2,1-5H3,(H,23,24)
• InChIKey: GEFDLNPXEXVTCP-UHFFFAOYSA-N

Properties

• Density: 1.16g/cm³ (Cal.)
• Boiling point: 509.64°C at 760 mmHg (Cal.)
• Flash point: 176.096°C (Cal.)