Estrane-3,17-Dione
[CAS# 5696-58-2]

Identification

• Name: Estrane-3,17-Dione
• Synonyms: (8R,9R,10S,13S,14S)-13-Methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthrene-3,17-Quinone; (5Alpha)-Estrane-3,17-Dione; Estrane-3,17-Dione
• Molecular Formula: C₁₈H₂₆O₂
• Molecular Weight: 274.40
• CAS Registry Number: 5696-58-2
• SMILES: [C@H]13[C@@H]([C@@H]2C(CC1)CC(=O)CC2)CC[C@]4([C@H]3CCC4=O)C
• InChI: 1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-16H,2-10H2,1H3/t11?,13-,14+,15+,16-,18-/m0/s1
• InChIKey: CRDKSBHJIGNEOH-LJRKRDDSSA-N

Properties

• Density: 1.087g/cm³ (Cal.)
• Boiling point: 411.241°C at 760 mmHg (Cal.)
• Flash point: 153.905°C (Cal.)