(1R,1R,1R,4aR,4aR,4aR,4bR,4bR,4bR,10aR,10aR,10aR)-1,2,3,4,4a,4b,5,6,10,10alpha-Decahydro-1,4alpha-Dimethyl-7-(1-Methylethyl)-1-Phenanthrenecarboxylic Acid 1,2,3-Propanetriyl Ester
[CAS# 20633-97-0]

Identification

• Name: (1R,1R,1R,4aR,4aR,4aR,4bR,4bR,4bR,10aR,10aR,10aR)-1,2,3,4,4a,4b,5,6,10,10alpha-Decahydro-1,4alpha-Dimethyl-7-(1-Methylethyl)-1-Phenanthrenecarboxylic Acid 1,2,3-Propanetriyl Ester
• Synonyms: [2-[(1R,4Ar,4Br,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthrene-1-Carbonyl]Oxy-1-[[(1R,4Ar,4Br,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthrene-1-Carbonyl]Oxymethyl]Ethyl] (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 [2-[[(1R,4Ar,4Br,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthren-1-Yl]-Oxomethoxy]-1-[[[(1R,4Ar,4Br,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthren-1-Yl]-Oxomethoxy]Methyl]Ethyl] Ester; (1R,4Ar,4Br,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthrene-1-Carboxylic Acid [2-[(1R,4Ar,4Br,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthrene-1-Carbonyl]Oxy-1-[[(1R,4Ar,4Br,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthrene-1-Carbonyl]Oxymethyl]Ethyl] Ester
• Molecular Formula: C₆₃H₉₂O₆
• Molecular Weight: 945.42
• CAS Registry Number: 20633-97-0
• SMILES: [C@H]12CCC(=CC1=CC[C@@H]3[C@@]2(CCC[C@]3(C(OC(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)=O)C)C)C(C)C
• InChI: 1S/C63H92O6/c1-39(2)42-16-22-49-45(34-42)19-25-52-58(49,7)28-13-31-61(52,10)55(64)67-37-48(69-57(66)63(12)33-15-30-60(9)51-24-18-44(41(5)6)36-47(51)21-27-54(60)63)38-68-56(65)62(11)32-14-29-59(8)50-23-17-43(40(3)4)35-46(50)20-26-53(59)62/h19-21,34-36,39-41,48-54H,13-18,22-33,37-38H2,1-12H3/t49-,50-,51-,52+,53+,54+,58+,59+,60+,61+,62+,63+/m0/s1
• InChIKey: YDRDTDKISFMAQR-SBGDMIGBSA-N

Properties

• Density: 1.107g/cm³ (Cal.)