11beta,17,21-Trihydroxypregn-4-Ene-3,20-Dione 21-Heptanoate
[CAS# 6678-15-5]

Identification

• Name: 11beta,17,21-Trihydroxypregn-4-Ene-3,20-Dione 21-Heptanoate
• Synonyms: [2-[(8S,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] Heptanoate; Heptanoic Acid [2-[(8S,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; Enanthic Acid [2-[(8S,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: C₂₈H₄₂O₆
• Molecular Weight: 474.64
• CAS Registry Number: 6678-15-5
• EINECS: 229-718-4
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@@H](O)C[C@@]3([C@](O)(CC4)C(=O)COC(=O)CCCCCC)C
• InChI: 1S/C28H42O6/c1-4-5-6-7-8-24(32)34-17-23(31)28(33)14-12-21-20-10-9-18-15-19(29)11-13-26(18,2)25(20)22(30)16-27(21,28)3/h15,20-22,25,30,33H,4-14,16-17H2,1-3H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1
• InChIKey: QITCVLFQEFWECI-SLPNHVECSA-N

Properties

• Density: 1.187g/cm³ (Cal.)
• Boiling point: 622.706°C at 760 mmHg (Cal.)
• Flash point: 200.405°C (Cal.)