(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-Trihydroxy-17-(2-Hydroxyacetyl)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
[CAS# 1171-81-9]

Identification

• Name: (8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-Trihydroxy-17-(2-Hydroxyacetyl)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
• Synonyms: (8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-Trihydroxy-17-(2-Hydroxy-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,16R,17S)-17-Glycoloyl-11,16,17-Trihydroxy-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,16R,17S)-11,16,17-Trihydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₁H₃₀O₆
• Molecular Weight: 378.46
• CAS Registry Number: 1171-81-9
• EINECS: 214-627-4
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@@H](O)C[C@@]3([C@](O)([C@H](O)C4)C(=O)CO)C
• InChI: 1S/C21H30O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h7,13-16,18,22,24-25,27H,3-6,8-10H2,1-2H3/t13-,14-,15-,16+,18+,19-,20-,21-/m0/s1
• InChIKey: SQPRYYSTJMNHSK-ILNISADRSA-N

Properties

• Density: 1.355g/cm³ (Cal.)
• Boiling point: 587.095°C at 760 mmHg (Cal.)
• Flash point: 322.9°C (Cal.)