(8S,9S,13S,14S)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene
[CAS# 1217-09-0]

Identification

• Name: (8S,9S,13S,14S)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene
• Synonyms: 1,3,5(10)-Estratriene; Estra-1,3,5(10)-Triene
• Molecular Formula: C₁₈H₂₄
• Molecular Weight: 240.39
• CAS Registry Number: 1217-09-0
• SMILES: [C@H]13[C@H]4[C@](CC[C@@H]1C2=CC=CC=C2CC3)(CCC4)C
• InChI: 1S/C18H24/c1-18-11-4-7-17(18)16-9-8-13-5-2-3-6-14(13)15(16)10-12-18/h2-3,5-6,15-17H,4,7-12H2,1H3/t15-,16-,17+,18+/m1/s1
• InChIKey: HLCRYAZDZCJZFG-BDXSIMOUSA-N

Properties

• Density: 1.013g/cm³ (Cal.)
• Boiling point: 344.579°C at 760 mmHg (Cal.)
• Flash point: 158.079°C (Cal.)