(4S,5aR)-2,5a-Dimethyl-4-Sulfanyl-4,5,6,7,10,11-Hexahydroisochromeno[7,8-e][1]Benzoxol-6-Ol
[CAS# 78853-64-2]

Identification

• Name: (4S,5aR)-2,5a-Dimethyl-4-Sulfanyl-4,5,6,7,10,11-Hexahydroisochromeno[7,8-e][1]Benzoxol-6-Ol
• Synonyms: (4S,5Ar)-2,5A-Dimethyl-4-Sulfanyl-4,5,6,7,10,11-Hexahydroisochromeno[7,8-E]Benzofuran-6-Ol; (4S,5Ar)-4-Mercapto-2,5A-Dimethyl-4,5,6,7,10,11-Hexahydroisochromeno[7,8-E]Benzofuran-6-Ol; 2-Man-3-O-16-Tdhete-17
• Molecular Formula: C₁₇H₂₀O₃S
• Molecular Weight: 304.40
• CAS Registry Number: 78853-64-2
• SMILES: [C@]14(C(=COCC1O)C3=C(C2=C(OC(=C2)C)CC3)[C@H](C4)S)C
• InChI: 1S/C17H20O3S/c1-9-5-11-13(20-9)4-3-10-12-7-19-8-15(18)17(12,2)6-14(21)16(10)11/h5,7,14-15,18,21H,3-4,6,8H2,1-2H3/t14-,15?,17+/m0/s1
• InChIKey: UDFSTCOCQJDTJG-XJIUDMAQSA-N

Properties

• Density: 1.302g/cm³ (Cal.)
• Boiling point: 493.584°C at 760 mmHg (Cal.)
• Flash point: 252.311°C (Cal.)