17,21-Dihydroxypregn-4-Ene-3,11,20-Trione 21-Palmitate
[CAS# 81910-31-8]

Identification

• Name: 17,21-Dihydroxypregn-4-Ene-3,11,20-Trione 21-Palmitate
• Synonyms: [2-[(8S,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-Dimethyl-3,11-Dioxo-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Hexadecanoate; Hexadecanoic Acid [2-[(8S,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-Dimethyl-3,11-Dioxo-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Palmitic Acid [2-[(8S,9S,10R,13S,14S,17R)-17-Hydroxy-3,11-Diketo-10,13-Dimethyl-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₃₇H₅₈O₆
• Molecular Weight: 598.86
• CAS Registry Number: 81910-31-8
• EINECS: 279-849-6
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)C(=O)C[C@@]3([C@](O)(CC4)C(=O)COC(=O)CCCCCCCCCCCCCCC)C
• InChI: 1S/C37H58O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-33(41)43-26-32(40)37(42)23-21-30-29-19-18-27-24-28(38)20-22-35(27,2)34(29)31(39)25-36(30,37)3/h24,29-30,34,42H,4-23,25-26H2,1-3H3/t29-,30-,34+,35-,36-,37-/m0/s1
• InChIKey: SGPYSHWNKTXSMU-DEOBSOAFSA-N

Properties

• Density: 1.102g/cm³ (Cal.)
• Boiling point: 705.439°C at 760 mmHg (Cal.)
• Flash point: 210.398°C (Cal.)