[(8S,9S,13R,14S,16R)-13-Methyl-3-Propanoyloxy-6,7,8,9,11,12,14,15,16,1 7-Decahydrocyclopenta[a]Phenanthren-16-Yl] Propanoate
[CAS# 5458-94-6]

Identification

• Name: [(8S,9S,13R,14S,16R)-13-Methyl-3-Propanoyloxy-6,7,8,9,11,12,14,15,16,1 7-Decahydrocyclopenta[a]Phenanthren-16-Yl] Propanoate
• Synonyms: Propanoic Acid [(8S,9S,13R,14S,16R)-13-Methyl-3-(1-Oxopropoxy)-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-16-Yl] Ester; Propionic Acid [(8S,9S,13R,14S,16R)-13-Methyl-3-Propionyloxy-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-16-Yl] Ester; Estra-1,3,5(10)-Triene-3,16Alpha-Diol Dipropionate
• Molecular Formula: C₂₄H₃₂O₄
• Molecular Weight: 384.51
• CAS Registry Number: 5458-94-6
• SMILES: [C@]12(C[C@H](OC(=O)CC)C[C@H]1[C@H]3[C@H](CC2)C4=C(CC3)C=C(OC(CC)=O)C=C4)C
• InChI: 1S/C24H32O4/c1-4-22(25)27-16-7-9-18-15(12-16)6-8-20-19(18)10-11-24(3)14-17(13-21(20)24)28-23(26)5-2/h7,9,12,17,19-21H,4-6,8,10-11,13-14H2,1-3H3/t17-,19-,20-,21+,24-/m1/s1
• InChIKey: SPPGAQTVRFMVLJ-ISPHGWFKSA-N

Properties

• Density: 1.145g/cm³ (Cal.)
• Boiling point: 487.795°C at 760 mmHg (Cal.)
• Flash point: 238.541°C (Cal.)