[3-[(1R,4aR,4bR,10aR)-1,4a-Dimethyl-7-Propan-2-Yl2,3,4,4b,5,6,10,10a-Octahydrophenanthrene-1-Carbonyl]Oxy-2,2-Bis[[(1R,4aR,4bR,10aR)-1,4a-Dimethyl-7-Propan-2-Yl2,3,4,4b,5,6,10,10a-Octahydrophenanthrene-1-Carbonyl]Oxymethyl]Propyl] (1R,4aR,4bR,10aR)-1,4a-Dimethyl-7-Propan-2-Yl-2,3,4,4B,5,6,10,10a-Octahydrophenanthrene-1-Carboxylate
[CAS# 127-23-1]

Identification

• Name: [3-[(1R,4aR,4bR,10aR)-1,4a-Dimethyl-7-Propan-2-Yl2,3,4,4b,5,6,10,10a-Octahydrophenanthrene-1-Carbonyl]Oxy-2,2-Bis[[(1R,4aR,4bR,10aR)-1,4a-Dimethyl-7-Propan-2-Yl2,3,4,4b,5,6,10,10a-Octahydrophenanthrene-1-Carbonyl]Oxymethyl]Propyl] (1R,4aR,4bR,10aR)-1,4a-Dimethyl-7-Propan-2-Yl-2,3,4,4B,5,6,10,10a-Octahydrophenanthrene-1-Carboxylate
• Synonyms: [3-[(1R,4Ar,4Br,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthrene-1-Carbonyl]Oxy-2,2-Bis[[(1R,4Ar,4Br,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthrene-1-Carbonyl]Oxymethyl]Propyl] (1R,4Ar,4Br,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthrene-1-Carboxylate; (1R,4Ar,4Br,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthrene-1-Carboxylic Acid [3-[[(1R,4Ar,4Br,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthren-1-Yl]-Oxomethoxy]-2,2-Bis[[[(1R,4Ar,4Br,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthren-1-Yl]-Oxomethoxy]Methyl]Propyl] Ester; (1R,4Ar,4Br,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthrene-1-Carboxylic Acid [3-[(1R,4Ar,4Br,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthrene-1-Carbonyl]Oxy-2,2-Bis[[(1R,4Ar,4Br,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthrene-1-Carbonyl]Oxymethyl]Propyl] Ester
• Molecular Formula: C₈₅H₁₂₄O₈
• Molecular Weight: 1273.91
• CAS Registry Number: 127-23-1
• EINECS: 204-830-6
• SMILES: [C@H]12CCC(=CC1=CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(OCC(COC([C@]6([C@@H]5CC=C4C=C(CC[C@@H]4[C@]5(CCC6)C)C(C)C)C)=O)(COC([C@]9([C@@H]8CC=C7C=C(CC[C@@H]7[C@]8(CCC9)C)C(C)C)C)=O)COC([C@]%12([C@@H]%11CC=C%10C=C(CC[C@@H]%10[C@]%11(CCC%12)C)C(C)C)C)=O)=O)C)C(C)C
• InChI: 1S/C85H124O8/c1-53(2)57-21-29-65-61(45-57)25-33-69-77(65,9)37-17-41-81(69,13)73(86)90-49-85(50-91-74(87)82(14)42-18-38-78(10)66-30-22-58(54(3)4)46-62(66)26-34-70(78)82,51-92-75(88)83(15)43-19-39-79(11)67-31-23-59(55(5)6)47-63(67)27-35-71(79)83)52-93-76(89)84(16)44-20-40-80(12)68-32-24-60(56(7)8)48-64(68)28-36-72(80)84/h25-28,45-48,53-56,65-72H,17-24,29-44,49-52H2,1-16H3/t65-,66-,67-,68-,69+,70+,71+,72+,77+,78+,79+,80+,81+,82+,83+,84+/m0/s1
• InChIKey: BQSWWPVLPPRSPJ-FIKIKMCASA-N

Properties

• Density: 1.118g/cm³ (Cal.)