(25S)-Spirost-5-Ene-3beta,25-Diol
[CAS# 7050-41-1]

Identification

• Name: (25S)-Spirost-5-Ene-3beta,25-Diol
• Synonyms: 1-(5-Acetyl-4-Methyl-Thiazol-2-Yl)-3-Hydroxy-4-(7-Methoxybenzofuran-2-Carbonyl)-5-(3-Methoxyphenyl)-5H-Pyrrol-2-One; 1-(5-Acetyl-4-Methyl-2-Thiazolyl)-3-Hydroxy-4-[(7-Methoxy-2-Benzofuranyl)-Oxomethyl]-5-(3-Methoxyphenyl)-5H-Pyrrol-2-One; 1-(5-Acetyl-4-Methyl-Thiazol-2-Yl)-3-Hydroxy-4-(7-Methoxybenzofuran-2-Carbonyl)-5-(3-Methoxyphenyl)-3-Pyrrolin-2-One
• Molecular Formula: C₂₇H₂₂N₂O₇S
• Molecular Weight: 518.54
• CAS Registry Number: 7050-41-1
• SMILES: C5=C(C1N(C(=O)C(=C1C(=O)C2=CC3=C(O2)C(=CC=C3)OC)O)C4=NC(=C(S4)C(=O)C)C)C=CC=C5OC
• InChI: 1S/C27H22N2O7S/c1-13-25(14(2)30)37-27(28-13)29-21(15-7-5-9-17(11-15)34-3)20(23(32)26(29)33)22(31)19-12-16-8-6-10-18(35-4)24(16)36-19/h5-12,21,32H,1-4H3
• InChIKey: YDVYZRXNRVPFLP-UHFFFAOYSA-N

Properties

• Density: 1.427g/cm³ (Cal.)
• Boiling point: 696.329°C at 760 mmHg (Cal.)
• Flash point: 374.927°C (Cal.)