1,3,5(10)-Estratriene-3,6alpha,17beta-Triol Triacetate
[CAS# 6626-42-2]

Identification

• Name: 1,3,5(10)-Estratriene-3,6alpha,17beta-Triol Triacetate
• Synonyms: [(6S,8R,9S,13S,14S,17S)-3,6-Diacetoxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(6S,8R,9S,13S,14S,17S)-3,6-Diacetoxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(6S,8R,9S,13S,14S,17S)-3,6-Diacetyloxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₂₄H₃₀O₆
• Molecular Weight: 414.50
• CAS Registry Number: 6626-42-2
• SMILES: [C@@H]1(OC(C)=O)[C@]3(C)[C@@H](CC1)[C@@H]2C[C@H](OC(C)=O)C4=C([C@H]2CC3)C=CC(=C4)OC(C)=O
• InChI: 1S/C24H30O6/c1-13(25)28-16-5-6-17-18-9-10-24(4)21(7-8-23(24)30-15(3)27)19(18)12-22(20(17)11-16)29-14(2)26/h5-6,11,18-19,21-23H,7-10,12H2,1-4H3/t18-,19-,21+,22+,23+,24+/m1/s1
• InChIKey: LMXGPAGGDXVARU-ULHSUKCYSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 505.262°C at 760 mmHg (Cal.)
• Flash point: 216.964°C (Cal.)