11-beta,17-alpha,21-Trihydroxy-6-alpha-Methylpregn-4-Ene-3,20-Dione
[CAS# 1625-39-4]

Identification

• Name: 11-beta,17-alpha,21-Trihydroxy-6-alpha-Methylpregn-4-Ene-3,20-Dione
• Synonyms: (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-6,10,13-Trimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (6S,8S,9S,10R,11S,13S,14S,17R)-17-Glycoloyl-11,17-Dihydroxy-6,10,13-Trimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-Hydroxyethanoyl)-6,10,13-Trimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₂H₃₂O₅
• Molecular Weight: 376.49
• CAS Registry Number: 1625-39-4
• EINECS: 216-614-9
• SMILES: [C@H]24[C@H]1[C@@]([C@](O)(CC1)C(=O)CO)(C[C@H](O)[C@@H]2[C@@]3(C(=CC(=O)CC3)[C@H](C4)C)C)C
• InChI: 1S/C22H32O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h9,12,14-15,17,19,23,25,27H,4-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
• InChIKey: FQWLSWNUHFREIQ-PJHHCJLFSA-N

Properties

• Density: 1.263g/cm³ (Cal.)
• Boiling point: 568.16°C at 760 mmHg (Cal.)
• Flash point: 311.461°C (Cal.)