Neriifolin
[CAS# 466-07-9]

Identification

• Name: Neriifolin
• Synonyms: 4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-Dihydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[[(2R,3S,4R,5S,6S)-3,5-Dihydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-14-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-Dihydroxy-4-Methoxy-6-Methyl-Oxan-2-Yl]Oxy-14-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One
• Molecular Formula: C₃₀H₄₆O₈
• Molecular Weight: 534.69
• CAS Registry Number: 466-07-9
• EINECS: 207-372-5
• SMILES: [C@]25([C@@]([C@@H](C1=CC(=O)OC1)CC2)(CC[C@@H]6[C@]4(CC[C@H](O[C@H]3[C@H]([C@H](OC)[C@H]([C@@H](O3)C)O)O)C[C@H]4CC[C@@H]56)C)C)O
• InChI: 1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28-,29+,30-/m0/s1
• InChIKey: VPUNMTHWNSJUOG-BAOINKAISA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 700.1±60.0°C at 760 mmHg (Cal.)
• Flash point: 224.9±26.4°C (Cal.)

References

• (1): H.-K. Fun, S. Chantrapromma, S. Cheenpracha, C. Karalai, S. Anjum, K. Chantrapromma and A. A. Rahman. Absolute configuration of 14[beta]-hydroxy-3[beta]-O-(L-thevetosyl)-5[beta]-card-20(22)-enolide chloroform disolvate, Acta Cryst. (2003). E59, o1694-o1696