(2R,8S,9S,10R,13S,14S,17R)-17-Hydroxy-17-(2-Hydroxyacetyl)-2,10,13-Trimethyl-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[a]Phenanthrene-3,11-Dione
[CAS# 3836-19-9]

Identification

• Name: (2R,8S,9S,10R,13S,14S,17R)-17-Hydroxy-17-(2-Hydroxyacetyl)-2,10,13-Trimethyl-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[a]Phenanthrene-3,11-Dione
• Synonyms: (2R,8S,9S,10R,13S,14S,17R)-17-Hydroxy-17-(2-Hydroxy-1-Oxoethyl)-2,10,13-Trimethyl-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[A]Phenanthrene-3,11-Dione; (2R,8S,9S,10R,13S,14S,17R)-17-Glycoloyl-17-Hydroxy-2,10,13-Trimethyl-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[A]Phenanthrene-3,11-Quinone; (2R,8S,9S,10R,13S,14S,17R)-17-Hydroxy-17-(2-Hydroxyethanoyl)-2,10,13-Trimethyl-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[A]Phenanthrene-3,11-Dione
• Molecular Formula: C₂₂H₃₀O₅
• Molecular Weight: 374.48
• CAS Registry Number: 3836-19-9
• SMILES: [C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)[C@@H](C[C@]34C)C)C)(C(=O)CO)O
• InChI: 1S/C22H30O5/c1-12-9-20(2)13(8-16(12)24)4-5-14-15-6-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20/h8,12,14-15,19,23,27H,4-7,9-11H2,1-3H3/t12-,14+,15+,19-,20+,21+,22+/m1/s1
• InChIKey: OIGPMJCLTDSPPN-QQVOSXMISA-N

Properties

• Density: 1.26g/cm³ (Cal.)
• Boiling point: 569.108°C at 760 mmHg (Cal.)
• Flash point: 312.034°C (Cal.)