17,21-Dihydroxy-16alpha-Methylpregna-1,4,9(11)-Triene-3,20-Dione
[CAS# 13209-41-1]

Identification

• Name: 17,21-Dihydroxy-16alpha-Methylpregna-1,4,9(11)-Triene-3,20-Dione
• Synonyms: (8S,10S,13S,14S,16R,17R)-17-Hydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13,16-Trimethyl-7,8,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-3-One; (8S,10S,13S,14S,16R,17R)-17-Glycoloyl-17-Hydroxy-10,13,16-Trimethyl-7,8,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-3-One; (8S,10S,13S,14S,16R,17R)-17-Hydroxy-17-(2-Hydroxyethanoyl)-10,13,16-Trimethyl-7,8,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₂H₂₈O₄
• Molecular Weight: 356.46
• CAS Registry Number: 13209-41-1
• EINECS: 236-177-8
• SMILES: [C@H]12[C@@]([C@](O)([C@@H](C1)C)C(=O)CO)(CC=C3[C@H]2CCC4=CC(=O)C=C[C@]34C)C
• InChI: 1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13-,16-,18+,20+,21+,22+/m1/s1
• InChIKey: ZYTXTXAMMDTYDQ-DGEXFFLYSA-N

Properties

• Density: 1.246g/cm³ (Cal.)
• Boiling point: 548.27°C at 760 mmHg (Cal.)
• Flash point: 299.446°C (Cal.)