5-[(1S,3E,5S)-3-[(2E)-2-[(3aR,7aR)-1-[(1S)-1-(3-Hydroxy-3-Methylbutoxy)Ethyl]-7alpha-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-5-Hydroxy-4-Methylidenecyclohexyl]Oxy-5-Oxopentanoic Acid
[CAS# 143773-34-6]

Identification

• Name: 5-[(1S,3E,5S)-3-[(2E)-2-[(3aR,7aR)-1-[(1S)-1-(3-Hydroxy-3-Methylbutoxy)Ethyl]-7alpha-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-5-Hydroxy-4-Methylidenecyclohexyl]Oxy-5-Oxopentanoic Acid
• Synonyms: 5-[(1S,3E,5S)-3-[(2E)-2-[(3Ar,7Ar)-1-[(1S)-1-(3-Hydroxy-3-Methyl-Butoxy)Ethyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-5-Hydroxy-4-Methylene-Cyclohexoxy]-5-Oxo-Pentanoic Acid; 5-[(1S,3E,5S)-3-[(2E)-2-[(3Ar,7Ar)-1-[(1S)-1-(3-Hydroxy-3-Methylbutoxy)Ethyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-5-Hydroxy-4-Methylenecyclohexoxy]-5-Oxopentanoic Acid; 5-[(1S,3E,5S)-3-[(2E)-2-[(3Ar,7Ar)-1-[(1S)-1-(3-Hydroxy-3-Methyl-Butoxy)Ethyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-5-Hydroxy-4-Methylene-Cyclohexoxy]-5-Keto-Valeric Acid
• Molecular Formula: C₃₁H₄₈O₇
• Molecular Weight: 532.72
• CAS Registry Number: 143773-34-6
• SMILES: [C@@]13([C@@H](\C(CCC1)=C\C=C/2C([C@@H](O)C[C@@H](OC(=O)CCCC(=O)O)C2)=C)CCC3[C@@H](OCCC(O)(C)C)C)C
• InChI: 1S/C31H48O7/c1-20-23(18-24(19-27(20)32)38-29(35)10-6-9-28(33)34)12-11-22-8-7-15-31(5)25(13-14-26(22)31)21(2)37-17-16-30(3,4)36/h11-12,21,24-27,32,36H,1,6-10,13-19H2,2-5H3,(H,33,34)/b22-11+,23-12+/t21-,24-,25?,26+,27-,31-/m0/s1
• InChIKey: OREIUHIOTGIWFL-YBRHLHBUSA-N

Properties

• Density: 1.154g/cm³ (Cal.)
• Boiling point: 687.04°C at 760 mmHg (Cal.)
• Flash point: 215.01°C (Cal.)