Estriol 16,17-diacetate 3-benzoate
[CAS# 2508-47-6]

Identification

• Name: Estriol 16,17-diacetate 3-benzoate
• Synonyms: [(16R,17R)-16,17-Diacetoxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Benzoate; Benzoic Acid [(16R,17R)-16,17-Diacetoxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Ester; Estra-1,3,5(10)-Triene-3,16-Alpha,17-Beta-Triol, 3-Benzoate, 16,17-Diacetate
• Molecular Formula: C₂₉H₃₂O₆
• Molecular Weight: 476.57
• CAS Registry Number: 2508-47-6
• SMILES: [C@@H]5(OC(=O)C)C4(C(C3C(C2=CC=C(OC(=O)C1=CC=CC=C1)C=C2CC3)CC4)C[C@H]5OC(=O)C)C
• InChI: 1S/C29H32O6/c1-17(30)33-26-16-25-24-11-9-20-15-21(35-28(32)19-7-5-4-6-8-19)10-12-22(20)23(24)13-14-29(25,3)27(26)34-18(2)31/h4-8,10,12,15,23-27H,9,11,13-14,16H2,1-3H3/t23?,24?,25?,26-,27+,29?/m1/s1
• InChIKey: VQHGRIUWSVCJPX-ULPOLMMYSA-N

Properties

• Density: 1.249g/cm³ (Cal.)
• Boiling point: 578.854°C at 760 mmHg (Cal.)
• Flash point: 245.75°C (Cal.)