(6S,8S,9S,13S,14S,17S)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3,6,17-Triol
[CAS# 1229-24-9]

Identification

• Classification: Analytical chemistry >> Analytical reagent >> Ion chromatography reagent
• Name: (6S,8S,9S,13S,14S,17S)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3,6,17-Triol
• Synonyms: 6Alpha-Hydroxy-Estradiol; 6Alpha-Hydroxyestradiol; Mls000028696
• Molecular Formula: C₁₈H₂₄O₃
• Molecular Weight: 288.39
• CAS Registry Number: 1229-24-9
• SMILES: [C@H]24[C@H]1[C@@]([C@@H](O)CC1)(CC[C@@H]2C3=CC=C(O)C=C3[C@@H](O)C4)C
• InChI: 1S/C18H24O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-17,19-21H,4-7,9H2,1H3/t12-,13-,15+,16+,17+,18+/m1/s1
• InChIKey: QZZRQURPSRWTLG-WOVZSMEKSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 492.04°C at 760 mmHg (Cal.)
• Flash point: 233.178°C (Cal.)