Table 1.
Comparison of band positions of the solid product obtained during isolation of betulin from Piptoporus betulinus with an experimental IR spectrum of betulin (vw—very weak, w-weak, sh—shoulder, m—medium, s—strong, vs—very strong, br—broad, ν—stretching, ρ—rocking, δ—bending, τ—twisting; ω—wagging, as—asymmetric, s—symmetric).
| IRexp in: KBr |
Betulin Literature IR Data [35] |
Vibrational Assignment [35] |
|---|---|---|
| 685 w | 685 w | ρ(C30H2) + τ(C29H2) + δ (C18C19C21) + δ(C18H) + δ (C4C3O) |
| 748 br, w | 713 vw | ρ (CH2)R5 + ρ(OC28H) + ν(C17C28) + R4 breathing + ρ(C15H2) |
| 873 m | 875 s | ω(C29H2) |
| 917 w | 913 w | ρ(CH3)R1 + νas(C23C4C24) + ρ(C26H2) |
| 934 w | 931 w | ρ(C23H2) + δ(OH)R1 + δ(CH) + ρ(C26H3) + ρ(C29H2) + ν(C20C30) |
| 946 sh 955 sh |
δ(OH)R1 + ρ(C24H2) + δ(CH)R2,R3,R5 + νs(C5C6C7) + δ(CH)R1,R2,R3 | |
| 973 sh | 972 m | ν(C15C16) + νas(C19C21C22) + ρ(CH3) + δ(OH)R1 + ρ(C28H2) |
| 986 sh | 984 w | δ(OH) + ν(OC3) + ρ(CH3)R1 + δ(CH) + ρ(C28H2) + ρ(C29H2) |
| 1007 s | 1006 vs | ν(C28O) + δ(C19H) + ρ(CH3CH2) |
| 1024 s 1035 sh |
1035 s | ν(C3C2) + δ(OH) + δ(CH)R1,R2,R3 + ρ(CH3) |
| 1063 sh | 1068 sh | ν(C28O) + δ(C19H) + ρ(CH3CH2) |
| 1082 m | 1083 m | τ(C22H2) + δ(C21H) + δ(C18H) + δ(C13H) + ρ(C16H2) + ρ(CH3)R3,R2 |
| 1105 m | 1104 m | δ(OH) + ω(C2H2) + δ(CH) + ω(C6H2) + ρ(C25H2) + ν(C10C5) + ρ(C28H2) + ν(C18C17) |
| 1130 w | 1136 vw | δ(OH)R1 + δ(CH)R1 + ρ(CH3)R1 + νas(C24C4C5) |
| 1159 w | 1159 vw | δ(OH)R5 + ω(C28H2) + δ(C19H) + τ(C16H2) + ρ(C29H2)+ δ(C29H) + ν(C20C30) |
| 1189 m | 1188 m | δ(OH)R5 + δ(C28H) + δ(C19H) + ρ(C29H2) + ν(C20C30) + δ(C30H) + δ(C3H) + δ(OH)R1 |
| 1217 vw | 1211 w | δ(OH)R1 + δ(C2H) + τ (C28H2) + ω(C22H2) |
| 1241 vw | 1243 w | δ(OH) + τ(C28H2) + δ(CH)R2,R3,R4,R5 |
| 1250 vw | 1260 vw | ω(CH2)R3,R4,R5 + τ(C22H2) + δ(C18H) + δ(C13H) + δ(C9H) + δ(C3H) |
| 1276 vw | 1281 vw | δ(CH) |
| 1299 m | 1298 m | δ(CH) + ν(C19C20) + ν(C18C19) + δ(C29H) + ν(C14C13) |
| 1339 m | 1338 m | δ(CH2CH3) + δ(C18H) + δ(C13H) + δ(CH3)R3 |
| 1363 sh | 1360 sh | δ(CH3)R2,R3 + δ(C13H) + δ(C18H) |
| 1374 s | 1373 s | δ(CH3)R2,R3 + δ(C13H) + δ(C18H) |
| 1451 s | 1450 s | δ(CH3) + δ(CH2) |
| 1470 m | 1463 sh 1485 sh |
δ(CH3)R1,R2 + δ(C2H2) + δ(C6H2) δ(CH3)R1,R2 + δ(C6H2) |
| 1638 m | 1639 m | δ(C29H2) + ν(C20C29) + δ(C19C20H) |
| 2849 s | 2849 sh | ν(C5H) + ν(C3H) |
| 2872 vs | 2866 vs | ν(C2H2) + ν(C1H2) + ν(C9H) |
| 2919 vs | 2909 sh 2929 vs |
νas(C28H2) + ν(C21H2) + ν(C15H) + ν(C13H) + ν(C12H) |
| 2957 vs | 2947 sh | νas(C23H2) + νas(C24H2) + νas(C27H2) |
| 3045 w 3276 sh |
3073 w 3212 m 3362 s |
νas(C29H2) + ν(OH) |
| 3422 br | 3419 s 3474 s |
ν(OH)R5 + ν(OH) of adsorbed water |