3-beta,17-alpha,21-Trihydroxypregn-5-En-20-One 21-Acetate
[CAS# 1474-10-8]

Identification

• Name: 3-beta,17-alpha,21-Trihydroxypregn-5-En-20-One 21-Acetate
• Synonyms: [2-[(3S,8R,9S,10R,13S,14S,17R)-3,17-Dihydroxy-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(3S,8R,9S,10R,13S,14S,17R)-3,17-Dihydroxy-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(3S,8R,9S,10R,13S,14S,17R)-3,17-Dihydroxy-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₃H₃₄O₅
• Molecular Weight: 390.52
• CAS Registry Number: 1474-10-8
• EINECS: 216-015-2
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C)CC[C@@]3([C@](O)(CC4)C(=O)COC(=O)C)C
• InChI: 1S/C23H34O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h4,16-19,25,27H,5-13H2,1-3H3/t16-,17+,18-,19-,21-,22-,23-/m0/s1
• InChIKey: PIGIYBRGSJKHQI-ZGIWMXSJSA-N

Properties

• Density: 1.211g/cm³ (Cal.)
• Boiling point: 533.413°C at 760 mmHg (Cal.)
• Flash point: 179.079°C (Cal.)