20-(3-Hydroxy-3-Methylbutyloxy)Pregna-5,7-Diene-1,3-Diol
[CAS# 142785-61-3]

Identification

• Name: 20-(3-Hydroxy-3-Methylbutyloxy)Pregna-5,7-Diene-1,3-Diol
• Synonyms: (9S,10R,13S,14R,17S)-17-[1-(3-Hydroxy-3-Methyl-Butoxy)Ethyl]-10,13-Dimethyl-2,3,4,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthrene-1,3-Diol; 20-(3-Hydroxy-3-Methylbutyloxy)-(2Beta-(3)H)Pregna-5,7-Diene-1,3-Diol; 20-(3-Hydroxy-3-Methylbutyloxy)Pregna-5,7-Diene-1,3-Diol
• Molecular Formula: C₂₆H₄₂O₄
• Molecular Weight: 418.62
• CAS Registry Number: 142785-61-3
• SMILES: [C@H]34C2=CC=C1CC(CC([C@@]1([C@H]2CC[C@@]3([C@H](CC4)C(C)OCCC(C)(C)O)C)C)O)O
• InChI: 1S/C26H42O4/c1-16(30-13-12-24(2,3)29)20-8-9-21-19-7-6-17-14-18(27)15-23(28)26(17,5)22(19)10-11-25(20,21)4/h6-7,16,18,20-23,27-29H,8-15H2,1-5H3/t16?,18?,20-,21+,22+,23?,25-,26+/m1/s1
• InChIKey: DUZLDPYKMSNPLT-SVCKCIGASA-N

Properties

• Density: 1.135g/cm³ (Cal.)
• Boiling point: 580.203°C at 760 mmHg (Cal.)
• Flash point: 304.696°C (Cal.)