[(3S,8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-17-[(2S)-1-Oxo-1-(Pyren-1-Ylmethoxy)Propan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] (E)-Octadec-9-Enoate
[CAS# 72535-39-8]

Identification

• Name: [(3S,8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-17-[(2S)-1-Oxo-1-(Pyren-1-Ylmethoxy)Propan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] (E)-Octadec-9-Enoate
• Synonyms: [(3S,8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-17-[(1S)-1-Methyl-2-Oxo-2-(Pyren-1-Ylmethoxy)Ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] (E)-Octadec-9-Enoate; (E)-Octadec-9-Enoic Acid [(3S,8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-17-[(1S)-1-Methyl-2-Oxo-2-(1-Pyrenylmethoxy)Ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; (E)-Octadec-9-Enoic Acid [(3S,8S,9S,10R,13S,14S,17R)-17-[(1S)-2-Keto-1-Methyl-2-(Pyren-1-Ylmethoxy)Ethyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester
• Molecular Formula: C₅₇H₇₆O₄
• Molecular Weight: 825.23
• CAS Registry Number: 72535-39-8
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](OC(=O)CCCCCCC\C=C\CCCCCCCC)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](C(OCC7=C8C6=C5C(=CC=CC5=CC=C6C=C7)C=C8)=O)C)C
• InChI: 1S/C57H76O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-52(58)61-46-34-36-56(3)45(38-46)29-31-48-50-33-32-49(57(50,4)37-35-51(48)56)40(2)55(59)60-39-44-27-26-43-25-24-41-21-20-22-42-28-30-47(44)54(43)53(41)42/h12-13,20-22,24-30,40,46,48-51H,5-11,14-19,23,31-39H2,1-4H3/b13-12+/t40-,46-,48-,49+,50-,51-,56-,57+/m0/s1
• InChIKey: ICFPCPYPZWCGNI-FDMUFAKGSA-N

Properties

• Density: 1.106g/cm³ (Cal.)
• Boiling point: 842.033°C at 760 mmHg (Cal.)
• Flash point: 414.642°C (Cal.)