(8S,9S,13R,14S,16R)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3,16-Diol
[CAS# 1090-04-6]

Identification

• Name: (8S,9S,13R,14S,16R)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3,16-Diol
• Synonyms: Estra-1,3,5(10)-Triene-3,16-Diol, (16Alpha)- (9Ci); Estradiol-16; Estradiol-16Alpha
• Molecular Formula: C₁₈H₂₄O₂
• Molecular Weight: 272.39
• CAS Registry Number: 1090-04-6
• SMILES: [C@@H]23C1=CC=C(C=C1CC[C@H]2[C@H]4[C@](CC3)(C[C@@H](C4)O)C)O
• InChI: 1S/C18H24O2/c1-18-7-6-15-14-5-3-12(19)8-11(14)2-4-16(15)17(18)9-13(20)10-18/h3,5,8,13,15-17,19-20H,2,4,6-7,9-10H2,1H3/t13-,15-,16-,17+,18-/m1/s1
• InChIKey: DVMAUGGKVWJBDV-FXXCCUJSSA-N

Properties

• Density: 1.171g/cm³ (Cal.)
• Boiling point: 445.917°C at 760 mmHg (Cal.)
• Flash point: 209.634°C (Cal.)