[2-[(8S,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-Dimethyl-3,11-Dioxo-6,7,8,9,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] Hexadecanoate
[CAS# 39007-81-3]

Identification

• Name: [2-[(8S,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-Dimethyl-3,11-Dioxo-6,7,8,9,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] Hexadecanoate
• Synonyms: [2-[(8S,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-Dimethyl-3,11-Dioxo-6,7,8,9,12,14,15,16-Octahydrocyclopenta[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-6,7,8,9,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Palmitic Acid [2-[(8S,9S,10R,13S,14S,17R)-17-Hydroxy-3,11-Diketo-10,13-Dimethyl-6,7,8,9,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₃₇H₅₆O₆
• Molecular Weight: 596.85
• CAS Registry Number: 39007-81-3
• EINECS: 254-246-0
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)C(=O)C[C@@]3([C@](O)(CC4)C(=O)COC(=O)CCCCCCCCCCCCCCC)C
• InChI: 1S/C37H56O6/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/h20,22,24,29-30,34,42H,4-19,21,23,25-26H2,1-3H3/t29-,30-,34+,35-,36-,37-/m0/s1
• InChIKey: NVYPOGVSAYIAHI-DEOBSOAFSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 707.734°C at 760 mmHg (Cal.)
• Flash point: 211.954°C (Cal.)