Spirostane-3,27-Diol
[CAS# 105815-87-0]

Identification

• Name: Spirostane-3,27-Diol
• Synonyms: Barbourgenin; Spirostan-3,27-Diol, (3Beta,5Alpha,25S)-
• Molecular Formula: C₂₇H₄₄O₄
• Molecular Weight: 432.64
• CAS Registry Number: 105815-87-0
• SMILES: [C@@H]1(CC[C@]4([C@H](C1)CC[C@H]5[C@@H]3C[C@@H]2O[C@]6([C@H]([C@@H]2[C@@]3(C)CC[C@H]45)C)OC[C@@H](CC6)CO)C)O
• InChI: 1S/C27H44O4/c1-16-24-23(31-27(16)11-6-17(14-28)15-30-27)13-22-20-5-4-18-12-19(29)7-9-25(18,2)21(20)8-10-26(22,24)3/h16-24,28-29H,4-15H2,1-3H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
• InChIKey: VMVODFKYINXZDT-PUHUBZITSA-N

Properties

• Density: 1.164g/cm³ (Cal.)
• Boiling point: 555.319°C at 760 mmHg (Cal.)
• Flash point: 289.647°C (Cal.)

References

• (1): . Barbourgenin, a New Steroidal Sapogenin from Agave sisalana Leaves,