(25S)-5beta-Spirostan-3-One
[CAS# 639-96-3]

Identification

• Name: (25S)-5beta-Spirostan-3-One
• Synonyms: Spirostan-3-One, (5.Alpha.,20.Beta.,25R)-; 5.Alpha.-Spirostan-3-One, (25R)-; Spirostan-3-One, (5.Alpha.,25R)-
• Molecular Formula: C₂₇H₄₂O₃
• Molecular Weight: 414.63
• CAS Registry Number: 639-96-3
• SMILES: CC1C6(OC2CC3C(C12)(CCC4C3CCC5C4(CCC(C5)=O)C)C)CCC(C)CO6
• InChI: 1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24H,5-15H2,1-4H3
• InChIKey: CIBAPVLFORANSS-UHFFFAOYSA-N

Properties

• Density: 1.111g/cm³ (Cal.)
• Boiling point: 514.75°C at 760 mmHg (Cal.)
• Flash point: 257.545°C (Cal.)