[3-[[(3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-17-Oxo-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthren-3-Yl]Oxysulfonyloxy]-2-Hexadecanoyloxypropyl] Hexadecanoate
[CAS# 79390-57-1]

Identification

• Name: [3-[[(3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-17-Oxo-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthren-3-Yl]Oxysulfonyloxy]-2-Hexadecanoyloxypropyl] Hexadecanoate
• Synonyms: [3-[[(3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-17-Oxo-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl]Oxysulfonyloxy]-2-Hexadecanoyloxy-Propyl] Hexadecanoate; Hexadecanoic Acid [3-[[(3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-17-Oxo-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl]Oxysulfonyloxy]-2-(1-Oxohexadecoxy)Propyl] Ester; Palmitic Acid [2-Hexadecanoyloxy-3-[[(3S,8R,9S,10R,13S,14S)-17-Keto-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl]Oxysulfonyloxy]Propyl] Ester
• Molecular Formula: C₅₄H₉₄O₉S
• Molecular Weight: 919.39
• CAS Registry Number: 79390-57-1
• SMILES: [C@H]12[C@H]4[C@](CC[C@@H]1[C@@]3(C(=CC2)C[C@@H](O[S](OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(=O)=O)CC3)C)(C(=O)CC4)C
• InChI: 1S/C54H94O9S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-51(56)60-42-46(62-52(57)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)43-61-64(58,59)63-45-37-39-53(3)44(41-45)33-34-47-48-35-36-50(55)54(48,4)40-38-49(47)53/h33,45-49H,5-32,34-43H2,1-4H3/t45-,46?,47-,48-,49-,53-,54-/m0/s1
• InChIKey: BNXZFRVTMCYITG-PZNRALTCSA-N

Properties

• Density: 1.071g/cm³ (Cal.)
• Boiling point: 879.596°C at 760 mmHg (Cal.)
• Flash point: 485.762°C (Cal.)