(3beta,5alpha,6alpha)-Cevane-3,6,20-Triol
[CAS# 107299-20-7]

Identification

• Name: (3beta,5alpha,6alpha)-Cevane-3,6,20-Triol
• Synonyms: 5Alpha,14Alpha,22Beta-Cevanine-3Beta,6Alpha,20Beta-Triol; C10830; Verticine
• Molecular Formula: C₂₇H₄₅NO₃
• Molecular Weight: 431.66
• CAS Registry Number: 107299-20-7 (135636-54-3)
• SMILES: [C@]45([C@H]3C[C@H]2[C@@H]1CN6[C@H]([C@]([C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@H](CC5)O)(O)C)CC[C@@H](C6)C)C
• InChI: 1S/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24-,25-,26+,27-/m0/s1
• InChIKey: IUKLSMSEHKDIIP-BZMYINFQSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 568.4±50.0°C at 760 mmHg (Cal.)
• Flash point: 275.3±28.8°C (Cal.)

References

• (1): J.-N. Zhang, G. Lin, Y.-P. Ho, P. Li and A. H. L. Chow. Verticine ethanol hydrate (2/1/1), Acta Cryst. (2000). C56, 907-909