Tixocortol
[CAS# 61951-99-3]

Identification

• Name: Tixocortol
• Synonyms: (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-Mercapto-1-Oxoethyl)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-Mercaptoacetyl)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-17-(2-Sulfanylethanoyl)-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₁H₃₀O₄S
• Molecular Weight: 378.53
• CAS Registry Number: 61951-99-3
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@@H](O)C[C@@]3([C@](C(CS)=O)(O)CC4)C
• InChI: 1S/C21H30O4S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-26)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
• InChIKey: YWDBSCORAARPPF-VWUMJDOOSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 559.3±50.0°C at 760 mmHg (Cal.)
• Flash point: 292.1±30.1°C (Cal.)