21-(6-Hydroxy-1-Oxohexyloxy)-11beta,17-Dihydroxypregna-4-Ene-3,20-Dione
[CAS# 114593-88-3]

Identification

• Name: 21-(6-Hydroxy-1-Oxohexyloxy)-11beta,17-Dihydroxypregna-4-Ene-3,20-Dione
• Synonyms: [2-[(9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] 6-Hydroxyhexanoate; 6-Hydroxyhexanoic Acid [2-[(9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; 6-Hydroxyhexanoic Acid [2-[(9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₇H₄₀O₇
• Molecular Weight: 476.61
• CAS Registry Number: 114593-88-3
• SMILES: [C@H]12[C@@]([C@](O)(CC1)C(=O)COC(=O)CCCCCO)(C[C@H](O)[C@H]3C2CCC4=CC(=O)CC[C@]34C)C
• InChI: 1S/C27H40O7/c1-25-11-9-18(29)14-17(25)7-8-19-20-10-12-27(33,26(20,2)15-21(30)24(19)25)22(31)16-34-23(32)6-4-3-5-13-28/h14,19-21,24,28,30,33H,3-13,15-16H2,1-2H3/t19?,20-,21-,24+,25-,26-,27-/m0/s1
• InChIKey: YUFRCVRCAXAMAD-YJEIGABGSA-N

Properties

• Density: 1.251g/cm³ (Cal.)
• Boiling point: 652.961°C at 760 mmHg (Cal.)
• Flash point: 213.6°C (Cal.)