(3S,8R,9S,10S,13S,14S,16R)-16-Hydroxy-13-Methyl-17-Oxo-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthrene-3,10-Dicarbaldehyde
[CAS# 131061-48-8]

Identification

• Name: (3S,8R,9S,10S,13S,14S,16R)-16-Hydroxy-13-Methyl-17-Oxo-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthrene-3,10-Dicarbaldehyde
• Synonyms: (3S,8R,9S,10S,13S,14S,16R)-16-Hydroxy-13-Methyl-17-Oxo-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthrene-3,10-Dicarboxaldehyde; (3S,8R,9S,10S,13S,14S,16R)-16-Hydroxy-17-Keto-13-Methyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthrene-3,10-Dicarbaldehyde
• Molecular Formula: C₂₀H₂₆O₄
• Molecular Weight: 330.42
• CAS Registry Number: 131061-48-8
• SMILES: [C@@]34(C=O)[C@H]2CC[C@@]1(C([C@@H](C[C@H]1[C@@H]2CC=C3C[C@H](CC4)C=O)O)=O)C
• InChI: 1S/C20H26O4/c1-19-6-5-15-14(16(19)9-17(23)18(19)24)3-2-13-8-12(10-21)4-7-20(13,15)11-22/h2,10-12,14-17,23H,3-9H2,1H3/t12-,14+,15-,16-,17+,19-,20+/m0/s1
• InChIKey: LPTDXWMUUFLLFZ-IQWVPMBOSA-N

Properties

• Density: 1.233g/cm³ (Cal.)
• Boiling point: 506.645°C at 760 mmHg (Cal.)
• Flash point: 274.3°C (Cal.)