16a-Methylhydrocortisone
[CAS# 2294-17-9]

Identification

• Name: 16a-Methylhydrocortisone
• Synonyms: (8S,9S,10R,11R,13S,14S,17R)-11,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13,16-Trimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (8S,9S,10R,11R,13S,14S,17R)-17-Glycoloyl-11,17-Dihydroxy-10,13,16-Trimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (8S,9S,10R,11R,13S,14S,17R)-11,17-Dihydroxy-17-(2-Hydroxyethanoyl)-10,13,16-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: 2294-17-9
• 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(C4)C)C(=O)CO)C
• InChI: 1S/C22H32O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h9,12,15-17,19,23,25,27H,4-8,10-11H2,1-3H3/t12?,15-,16-,17+,19+,20-,21-,22-/m0/s1
• InChIKey: ZCAYUOKEIPMTMF-SRYLXOBDSA-N

Properties

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