(1R,4S,6S)-4,8,11,11-Tetramethyl-1-(Phenylmethoxy)-6-Phenylsulfanylbicyclo[5.3.1]Undec-7-En-3-One
[CAS# 129720-17-8]

Identification

• Name: (1R,4S,6S)-4,8,11,11-Tetramethyl-1-(Phenylmethoxy)-6-Phenylsulfanylbicyclo[5.3.1]Undec-7-En-3-One
• Synonyms: (1R,4S,6S)-4,8,11,11-Tetramethyl-1-(Phenylmethoxy)-6-Phenylsulfanyl-Bicyclo[5.3.1]Undec-7-En-3-One; (1R,4S,6S)-4,8,11,11-Tetramethyl-1-(Phenylmethoxy)-6-(Phenylthio)-3-Bicyclo[5.3.1]Undec-7-Enone; (1R,4S,6S)-1-(Benzyloxy)-4,8,11,11-Tetramethyl-6-(Phenylthio)Bicyclo[5.3.1]Undec-7-En-3-One
• Molecular Formula: C₂₈H₃₄O₂S
• Molecular Weight: 434.64
• CAS Registry Number: 129720-17-8
• SMILES: [C@]24(OCC1=CC=CC=C1)C(C(=C(CC2)C)[C@@H](SC3=CC=CC=C3)C[C@@H](C(=O)C4)C)(C)C
• InChI: 1S/C28H34O2S/c1-20-15-16-28(30-19-22-11-7-5-8-12-22)18-24(29)21(2)17-25(26(20)27(28,3)4)31-23-13-9-6-10-14-23/h5-14,21,25H,15-19H2,1-4H3/t21-,25-,28+/m0/s1
• InChIKey: WWPVSSBILGYJRZ-HPKXWHFBSA-N

Properties

• Density: 1.129g/cm³ (Cal.)
• Boiling point: 551.574°C at 760 mmHg (Cal.)
• Flash point: 263.981°C (Cal.)