(7S,8aS,10aR)-3,7-Dibromo-8,8,10a-Trimethyl-6,7,8a,9-Tetrahydro-5H-Xanthen-2-Ol
[CAS# 124962-11-4]

Identification

• Name: (7S,8aS,10aR)-3,7-Dibromo-8,8,10a-Trimethyl-6,7,8a,9-Tetrahydro-5H-Xanthen-2-Ol
• Synonyms: 1H-Xanthen-7-Ol, 2,6-Dibromo-2,3,4,4A,9,9A-Hexahydro-1,1,4A-Trimethyl-, (2S-(2Alpha,4Abeta,9Abeta))-; 4-Isocymobarbatol; Cymobarbatol
• Molecular Formula: C₁₆H₂₀Br₂O₂
• Molecular Weight: 404.14
• CAS Registry Number: 124962-11-4
• SMILES: [C@H]13[C@](OC2=C(C1)C=C(O)C(=C2)Br)(CC[C@H](Br)C3(C)C)C
• InChI: 1S/C16H20Br2O2/c1-15(2)13-7-9-6-11(19)10(17)8-12(9)20-16(13,3)5-4-14(15)18/h6,8,13-14,19H,4-5,7H2,1-3H3/t13-,14-,16+/m0/s1
• InChIKey: ALTFOIOEOXFNOO-OFQRWUPVSA-N

Properties

• Density: 1.546g/cm³ (Cal.)
• Boiling point: 424.998°C at 760 mmHg (Cal.)
• Flash point: 210.832°C (Cal.)