Miroestrol
[CAS# 2618-41-9]

Identification

• Name: Miroestrol
• Synonyms: C08831; Miroestrol; 2,12-Methano-1H-Benzo(B)Naphtho(2,1-D)Pyran-4(4Ah)-One, 2,3,10B,11,12,12A-Hexahydro-1,2,4A,8-Tetrahydroxy-11,11-Dimethyl-, (1R-(1Alpha,2Beta,4Abeta,10Bbeta,12Alpha,12Abeta))-
• Molecular Formula: C₂₀H₂₂O₆
• Molecular Weight: 358.39
• CAS Registry Number: 2618-41-9
• SMILES: [C@@]34(C2=COC1=CC(=CC=C1[C@H]2C(C)(C)[C@@H]5[C@H]3[C@@H](O)[C@@](CC4=O)(O)C5)O)O
• InChI: 1S/C20H22O6/c1-18(2)11-6-19(24)7-14(22)20(25,16(11)17(19)23)12-8-26-13-5-9(21)3-4-10(13)15(12)18/h3-5,8,11,15-17,21,23-25H,6-7H2,1-2H3/t11-,15+,16-,17+,19+,20-/m0/s1
• InChIKey: RJKLDOLOCIQYFS-PRTISISMSA-N

Properties

• Density: 1.541g/cm³ (Cal.)
• Boiling point: 584.124°C at 760 mmHg (Cal.)
• Flash point: 211.74°C (Cal.)