(8R,9S,13R)-13-Methyl-7,8,9,11,12,15,16,17-Octahydro-6H-Cyclopenta[a]Phenanthrene-2,3,14,15,16,17-Hexol
[CAS# 176219-89-9]

Identification

• Name: (8R,9S,13R)-13-Methyl-7,8,9,11,12,15,16,17-Octahydro-6H-Cyclopenta[a]Phenanthrene-2,3,14,15,16,17-Hexol
• Synonyms: 2,3,14,15,16,17-Hexahydroxy-1,3,5(10)-Estratriene; Estratriene-2,3,14,15,16,17-Hexaol; Estratriene-2,3,14,15,16,17-Hexol
• Molecular Formula: C₁₈H₂₄O₆
• Molecular Weight: 336.38
• CAS Registry Number: 176219-89-9
• SMILES: [C@H]23C1(O)[C@@](C(O)C(O)C1O)(CC[C@@H]2C4=C(CC3)C=C(O)C(=C4)O)C
• InChI: 1S/C18H24O6/c1-17-5-4-9-10-7-13(20)12(19)6-8(10)2-3-11(9)18(17,24)16(23)14(21)15(17)22/h6-7,9,11,14-16,19-24H,2-5H2,1H3/t9-,11-,14?,15?,16?,17-,18?/m1/s1
• InChIKey: KJNMGEFJTICTAC-QRSKRPCKSA-N

Properties

• Density: 1.552g/cm³ (Cal.)
• Boiling point: 542.486°C at 760 mmHg (Cal.)
• Flash point: 255.423°C (Cal.)