(2R,6S,7S,9R)-2alpha-[(1S,4S)-4-(3-Hydroxyphenyl)-4-Methoxy-1-Methylbutyl]-3beta,9,11,11-Tetramethyl-8-Oxo-1-Oxaspiro[5.5]Undec-4-Ene-7-Carboxylic Acid (3R)-Tetrahydro-5-Oxofuran-3-Yl Ester
[CAS# 95069-53-7]

Identification

• Name: (2R,6S,7S,9R)-2alpha-[(1S,4S)-4-(3-Hydroxyphenyl)-4-Methoxy-1-Methylbutyl]-3beta,9,11,11-Tetramethyl-8-Oxo-1-Oxaspiro[5.5]Undec-4-Ene-7-Carboxylic Acid (3R)-Tetrahydro-5-Oxofuran-3-Yl Ester
• Synonyms: (5-Oxotetrahydrofuran-3-Yl) (2R,3R,6S,9R,11S)-2-[(1S,4S)-4-(3-Hydroxyphenyl)-4-Methoxy-1-Methyl-Butyl]-3,7,7,9-Tetramethyl-10-Oxo-1-Oxaspiro[5.5]Undec-4-Ene-11-Carboxylate; (2R,3R,6S,9R,11S)-2-[(1S,4S)-4-(3-Hydroxyphenyl)-4-Methoxy-1-Methylbutyl]-3,7,7,9-T
• Molecular Formula: C₃₁H₄₂O₈
• Molecular Weight: 542.67
• CAS Registry Number: 95069-53-7
• SMILES: [C@@]13(O[C@@H]([C@@H](C=C1)C)[C@H](CC[C@H](OC)C2=CC=CC(=C2)O)C)C(C[C@H](C(=O)[C@H]3C(OC4CC(OC4)=O)=O)C)(C)C
• InChI: 1S/C31H42O8/c1-18(10-11-24(36-6)21-8-7-9-22(32)14-21)28-19(2)12-13-31(39-28)26(27(34)20(3)16-30(31,4)5)29(35)38-23-15-25(33)37-17-23/h7-9,12-14,18-20,23-24,26,28,32H,10-11,15-17H2,1-6H3/t18-,19+,20+,23?,24-,26-,28+,31-/m0/s1
• InChIKey: RYBYHPJXPIRVFK-QURPRUPMSA-N

Properties

• Density: 1.205g/cm³ (Cal.)
• Boiling point: 672.32°C at 760 mmHg (Cal.)
• Flash point: 211.876°C (Cal.)