(25S)-5beta-Spirostane-1beta,3beta,5-Triol
[CAS# 17149-95-0]

Identification

• Name: (25S)-5beta-Spirostane-1beta,3beta,5-Triol
• Synonyms: Convallagenin A
• Molecular Formula: C₂₇H₄₄O₅
• Molecular Weight: 448.64
• CAS Registry Number: 17149-95-0
• SMILES: [C@]35([C@H]([C@H]1[C@@H]([C@@]2([C@](O)(CC1)C[C@@H](O)C[C@H]2O)C)CC3)C[C@@H]6O[C@@]4(OC[C@H](CC4)C)[C@H]([C@H]56)C)C
• InChI: 1S/C27H44O5/c1-15-5-10-27(31-14-15)16(2)23-21(32-27)12-20-18-6-9-26(30)13-17(28)11-22(29)25(26,4)19(18)7-8-24(20,23)3/h15-23,28-30H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
• InChIKey: ZUAUXYWVXMTADI-ZRUUGFNHSA-N

Properties

• Density: 1.215g/cm³ (Cal.)
• Boiling point: 579.676°C at 760 mmHg (Cal.)
• Flash point: 304.377°C (Cal.)