[(1R,2S,4aS,4bR,8aR,9R,10R,10aS)-8a,10-Dihydroxy-2-(2-Methoxy-2-Oxoethyl)-1,4b,8,8-Tetramethyl-3-Oxo-1,2,4,4a,5,6,7,9,10,10a-Decahydrophenanthren-9-Yl] (E)-3-Phenylprop-2-Enoate
[CAS 105389-29-5]

Identification

• Name: [(1R,2S,4aS,4bR,8aR,9R,10R,10aS)-8a,10-Dihydroxy-2-(2-Methoxy-2-Oxoethyl)-1,4b,8,8-Tetramethyl-3-Oxo-1,2,4,4a,5,6,7,9,10,10a-Decahydrophenanthren-9-Yl] (E)-3-Phenylprop-2-Enoate
• Synonyms: [(1R,2S,4As,4Br,8Ar,9R,10R,10As)-8A,10-Dihydroxy-2-(2-Methoxy-2-Oxo-Ethyl)-1,4B,8,8-Tetramethyl-3-Oxo-1,2,4,4A,5,6,7,9,10,10A-Decahydrophenanthren-9-Yl] (E)-3-Phenylprop-2-Enoate; (E)-3-Phenylprop-2-Enoic Acid [(1R,2S,4As,4Br,8Ar,9R,10R,10As)-8A,10-Dihydroxy-2-(2-Methoxy-2-Oxoethyl)-1,4B,8,8-Tetramethyl-3-Oxo-1,2,4,4A,5,6,7,9,10,10A-Decahydrophenanthren-9-Yl] Ester; (E)-3-Phenylacrylic Acid [(1R,2S,4As,4Br,8Ar,9R,10R,10As)-8A,10-Dihydroxy-3-Keto-2-(2-Keto-2-Methoxy-Ethyl)-1,4B,8,8-Tetramethyl-1,2,4,4A,5,6,7,9,10,10A-Decahydrophenanthren-9-Yl] Ester
• Molecular Formula: C₃₀H₄₀O₇
• Molecular Weight: 512.64
• CAS Registry Number: 105389-29-5
• SMILES: [C@@]12(CCCC([C@@]1([C@@H]([C@@H]([C@@H]3[C@@H]2CC([C@H]([C@@H]3C)CC(OC)=O)=O)O)OC(\C=C\C4=CC=CC=C4)=O)O)(C)C)C
• InChI: 1S/C30H40O7/c1-18-20(16-24(33)36-5)22(31)17-21-25(18)26(34)27(30(35)28(2,3)14-9-15-29(21,30)4)37-23(32)13-12-19-10-7-6-8-11-19/h6-8,10-13,18,20-21,25-27,34-35H,9,14-17H2,1-5H3/b13-12+/t18-,20-,21-,25-,26+,27+,29+,30+/m0/s1
• InChIKey: QDVSQQYDMLUPGR-OFYFIDOVSA-N

Properties

• Density: 1.221g/cm³ (Cal.)
• Boiling point: 629.68°C at 760 mmHg (Cal.)
• Flash point: 199.187°C (Cal.)