Spektraris NMR
3β-eicosanoyl-6β-hydroxy-21αH-24-norhopan-4(23),22(29)-diene
Common Name: 3β-eicosanoyl-6β-hydroxy-21αH-24-norhopan-4(23),22(29)-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C49H84O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-44(51)52-41-31-33-47(6)43-28-27-42-46(5)32-29-38(36(2)3)39(46)30-34-48(42,7)49(43,8)35-40(50)45(47)37(41)4/h38-43,45,50H,2,4,9-35H2,1,3,5-8H3/t38-,39+,40-,41+,42-,43-,45-,46+,47-,48-,49-/m1/s1
InChIKey: InChIKey=QMNQAFGJFOAKMH-XLLSIKSQSA-N
Formula: C49H84O3
Molecular Weight: 721.191297
Exact Mass: 720.642047
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Poovapatthanachart, R., Thanakijcharoenpath, W. Fitoterapia (2008) 79, 498-500
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 40 |
| 2 (CH2) | 28.5 |
| 3 (CH) | 74.1 |
| 4 (C) | 146 |
| 5 (CH) | 52.3 |
| 6 (CH) | 70 |
| 7 (CH2) | 39.1 |
| 8 (C) | 41.3 |
| 9 (CH) | 48.7 |
| 10 (C) | 38.2 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 23.9 |
| 13 (CH) | 47.5 |
| 14 (C) | 42.7 |
| 15 (CH2) | 32.5 |
| 16 (CH2) | 21.5 |
| 17 (CH) | 53.9 |
| 18 (C) | 44.2 |
| 19 (CH2) | 40.2 |
| 20 (CH2) | 27.3 |
| 21 (CH) | 47.9 |
| 22 (C) | 148.1 |
| 23 (CH2) | 105.2 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 17.8 |
| 27 (CH3) | 16.8 |
| 28 (CH3) | 15 |
| 29 (CH2) | 109.5 |
| 30 (CH3) | 19.6 |
| 3a (C) | 173 |
| 3b (CH2) | 34.6 |
| 3c (CH2) | 25.1 |
| 3d (CH2) | 29.2 |
| 3e (CH2) | 29.2 |
| 3f (CH2) | 29.3 |
| 3g (CH2) | 29.3 |
| 3h (CH2) | 29.3 |
| 3i (CH2) | 29.4 |
| 3j (CH2) | 29.4 |
| 3k (CH2) | 29.5 |
| 3l (CH2) | 29.5 |
| 3m (CH2) | 29.5 |
| 3n (CH2) | 29.6 |
| 3o (CH2) | 29.6 |
| 3p (CH2) | 29.7 |
| 3q (CH2) | 29.7 |
| 3r (CH2) | 31.9 |
| 3s (CH2) | 22.7 |
| 3t (CH3) | 14.1 |
