(8R,9S,13R,14R)-3-Methoxy-6,7,8,9,11,12,13,14,15,16-Decahydrocyclopenta[a]Phenanthren-17-One
[CAS# 4248-04-8]

Identification

• Name: (8R,9S,13R,14R)-3-Methoxy-6,7,8,9,11,12,13,14,15,16-Decahydrocyclopenta[a]Phenanthren-17-One
• Synonyms: 13-Alpha-Gona-1,3,5(10)-Trien-17-One, 3-Methoxy-; 3-Methoxy-13-Alpha-Gona-1,3,5(10)-Trien-17-One
• Molecular Formula: C₁₈H₂₂O₂
• Molecular Weight: 270.37
• CAS Registry Number: 4248-04-8
• SMILES: [C@@H]23CCC1=C(C=CC(=C1)OC)[C@H]2CC[C@@H]4[C@H]3CCC4=O
• InChI: 1S/C18H22O2/c1-20-12-3-5-13-11(10-12)2-4-15-14(13)6-7-17-16(15)8-9-18(17)19/h3,5,10,14-17H,2,4,6-9H2,1H3/t14-,15-,16+,17-/m1/s1
• InChIKey: GDDDQTOBTQTTJD-WCXIOVBPSA-N

Properties

• Density: 1.113g/cm³ (Cal.)
• Boiling point: 429.551°C at 760 mmHg (Cal.)
• Flash point: 191.028°C (Cal.)