(1R,6S)-8,11,11-Trimethyl-1-(Phenylmethoxy)-6-Phenylsulfanylbicyclo[5.3.1]Undec-7-En-3-One
[CAS# 133536-28-4]

Identification

• Name: (1R,6S)-8,11,11-Trimethyl-1-(Phenylmethoxy)-6-Phenylsulfanylbicyclo[5.3.1]Undec-7-En-3-One
• Synonyms: (1R,6S)-8,11,11-Trimethyl-1-(Phenylmethoxy)-6-Phenylsulfanyl-Bicyclo[5.3.1]Undec-7-En-3-One; (1R,6S)-8,11,11-Trimethyl-1-(Phenylmethoxy)-6-(Phenylthio)-3-Bicyclo[5.3.1]Undec-7-Enone; (1R,6S)-1-(Benzyloxy)-8,11,11-Trimethyl-6-(Phenylthio)Bicyclo[5.3.1]Undec-7-En-3-One
• Molecular Formula: C₂₇H₃₂O₂S
• Molecular Weight: 420.61
• CAS Registry Number: 133536-28-4
• SMILES: [C@]24(OCC1=CC=CC=C1)C(C(=C(CC2)C)[C@@H](SC3=CC=CC=C3)CCC(=O)C4)(C)C
• InChI: 1S/C27H32O2S/c1-20-16-17-27(29-19-21-10-6-4-7-11-21)18-22(28)14-15-24(25(20)26(27,2)3)30-23-12-8-5-9-13-23/h4-13,24H,14-19H2,1-3H3/t24-,27+/m0/s1
• InChIKey: BDGSMSWNOIYMSW-RPLLCQBOSA-N

Properties

• Density: 1.142g/cm³ (Cal.)
• Boiling point: 545.986°C at 760 mmHg (Cal.)
• Flash point: 262.841°C (Cal.)