(6alpha,20R)-11,17,20-Trihydroxy-6-methyl-3-oxopregna-1,4-dien-21-yl acetate
[CAS# 93963-74-7]

Identification

• Name: (6alpha,20R)-11,17,20-Trihydroxy-6-methyl-3-oxopregna-1,4-dien-21-yl acetate
• Synonyms: (20R)-11β,17,20,21-tetrahydroxy-6α-methylpregna-1,4-dien-3-one 21-acetate
• Molecular Formula: C₂₄H₃₄O₆
• Molecular Weight: 418.52
• CAS Registry Number: 93963-74-7
• EINECS: 300-818-0
• SMILES: CC(=O)OC[C@@H](O)[C@@]4(O)CC[C@H]3[C@@H]2C[C@H](C)C1=CC(=O)C=C[C@]1(C)[C@H]2[C@@H](O)C[C@@]34C
• InChI: 1S/C24H34O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19-21,27-29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,20+,21+,22-,23-,24-/m0/s1
• InChIKey: PISINOWVXAIVLQ-OCKJIAMASA-N

Properties

• Density: 1.267g/cm³ (Cal.)
• Boiling point: 603.444°C at 760 mmHg (Cal.)
• Flash point: 203.899°C (Cal.)