Allylestriol
[CAS# 26583-08-4]

Identification

• Name: Allylestriol
• Synonyms: (8R,9S,13S,14S,16R,17R)-17-Allyl-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-3,16,17-Triol; Estra-1,3,5(10)-Triene-3,16,17-Triol, 17-(2-Propenyl)-, (16Alpha,17Beta)-; Allylestriol
• Molecular Formula: C₂₁H₂₈O₃
• Molecular Weight: 328.45
• CAS Registry Number: 26583-08-4
• SMILES: [C@@H]23CCC1=C(C=CC(=C1)O)[C@H]2CC[C@]4([C@H]3C[C@H]([C@@]4(O)CC=C)O)C
• InChI: 1S/C21H28O3/c1-3-9-21(24)19(23)12-18-17-6-4-13-11-14(22)5-7-15(13)16(17)8-10-20(18,21)2/h3,5,7,11,16-19,22-24H,1,4,6,8-10,12H2,2H3/t16-,17-,18+,19-,20+,21+/m1/s1
• InChIKey: KIJLZKRIPBDGFS-YQPXSLGVSA-N

Properties

• Density: 1.185g/cm³ (Cal.)
• Boiling point: 479.369°C at 760 mmHg (Cal.)
• Flash point: 217.381°C (Cal.)