(8R,9S,13S,14S,17S)-6-Amino-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3,17-Diol
[CAS# 104975-49-7]

Identification

• Name: (8R,9S,13S,14S,17S)-6-Amino-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3,17-Diol
• Synonyms: 6-Aminoestradiol
• Molecular Formula: C₁₈H₂₅NO₂
• Molecular Weight: 287.40
• CAS Registry Number: 104975-49-7
• SMILES: [C@@H]23C1=CC=C(C=C1C(C[C@H]2[C@H]4[C@](CC3)([C@H](CC4)O)C)N)O
• InChI: 1S/C18H25NO2/c1-18-7-6-12-11-3-2-10(20)8-14(11)16(19)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-17,20-21H,4-7,9,19H2,1H3/t12-,13-,15+,16?,17+,18+/m1/s1
• InChIKey: NJQNPYWBIWHYJP-YDYZGFHSSA-N

Properties

• Density: 1.196g/cm³ (Cal.)
• Boiling point: 469.638°C at 760 mmHg (Cal.)
• Flash point: 237.829°C (Cal.)