(11beta,20S)-11,17,20,21-Tetrahydroxypregn-4-En-3-One
[CAS# 116-58-5]

Identification

• Name: (11beta,20S)-11,17,20,21-Tetrahydroxypregn-4-En-3-One
• Synonyms: (11β,20S)-11,17,20,21-tetrahydroxypregn-4-en-3-one; (8S,9S,10R,11S,13S,14S,17R)-17-((S)-1,2-dihydroxyethyl)-11,17-dihydroxy-10,13-dimethyl-1,7,8,10,11,12,13,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-3(6H,9H,14H)-one
• Molecular Formula: C₂₁H₃₂O₅
• Molecular Weight: 364.48
• CAS Registry Number: 116-58-5
• SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4([C@H](CO)O)O)C)O
• InChI: 1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-18,22,24-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,17-,18+,19-,20-,21-/m0/s1
• InChIKey: AWWCEQOCFFQUKS-FJWDNACWSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 586.6±50.0°C at 760 mmHg (Cal.)
• Flash point: 322.6±26.6°C (Cal.)
• Refractive index: 1.603 (Cal.)