(3S,4S)-3,4-Dihydroxy-11-Methyl-3,4,15,16-Tetrahydrocyclopenta[a]Phenanthren-17-One
[CAS# 72007-69-3]

Identification

• Name: (3S,4S)-3,4-Dihydroxy-11-Methyl-3,4,15,16-Tetrahydrocyclopenta[a]Phenanthren-17-One
• Synonyms: 17H-Cyclopenta(A)Phenanthren-17-One, 3,4,15,16-Tetrahydro-3,4-Dihydroxy-11-Methyl-, Trans-; 3,4,15,16-Tetrahydro-3,4-Dihydroxy-11-Methyl-17H-Cyclopenta(A)Phenanthren-17-One; 3,4-Dihydroxy-11-Methyl-3,4,15,16-Tetrahydroxycyclopenta(A)Phenanthren-17-One
• Molecular Formula: C₁₈H₁₆O₃
• Molecular Weight: 280.32
• CAS Registry Number: 72007-69-3
• SMILES: [C@H]4(O)C2=C(C1=C(C=C3C(=C1C=C2)CCC3=O)C)C=C[C@@H]4O
• InChI: 1S/C18H16O3/c1-9-8-14-10(4-6-15(14)19)11-2-3-13-12(17(9)11)5-7-16(20)18(13)21/h2-3,5,7-8,16,18,20-21H,4,6H2,1H3/t16-,18-/m0/s1
• InChIKey: RAXAPVOXQLFSFL-WMZOPIPTSA-N

Properties

• Density: 1.405g/cm³ (Cal.)
• Boiling point: 557.194°C at 760 mmHg (Cal.)
• Flash point: 304.837°C (Cal.)