(7R,8R,9S,13S,14S,17S)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3,7,17-Triol
[CAS# 3398-11-6]

Identification

• Name: (7R,8R,9S,13S,14S,17S)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3,7,17-Triol
• Synonyms: Nsc89844
• Molecular Formula: C₁₈H₂₄O₃
• Molecular Weight: 288.39
• CAS Registry Number: 3398-11-6
• SMILES: [C@H]24[C@H]1[C@@]([C@@H](O)CC1)(CC[C@@H]2C3=CC=C(O)C=C3C[C@H]4O)C
• InChI: 1S/C18H24O3/c1-18-7-6-13-12-3-2-11(19)8-10(12)9-15(20)17(13)14(18)4-5-16(18)21/h2-3,8,13-17,19-21H,4-7,9H2,1H3/t13-,14+,15-,16+,17-,18+/m1/s1
• InChIKey: CQPNIWHVQNCXHA-HTPGKPQGSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 493.107°C at 760 mmHg (Cal.)
• Flash point: 233.746°C (Cal.)