Spektraris NMR
Ganoderiol A triacetate
Common Name: Ganoderiol A triacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H56O7/c1-22(11-14-31(43-25(4)39)36(10,40)21-41-23(2)37)26-15-19-35(9)28-12-13-29-32(5,6)30(42-24(3)38)17-18-33(29,7)27(28)16-20-34(26,35)8/h12,16,22,26,29-31,40H,11,13-15,17-21H2,1-10H3/t22-,26-,29+,30+,31-,33-,34-,35+,36?/m1/s1
InChIKey: InChIKey=RMMGFHLTEHSSDK-RNDAKEBJSA-N
Formula: C36H56O7
Molecular Weight: 600.827009
Exact Mass: 600.402604
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Qiao, Y., Zhang, X.M., Qiu, M.H. Molecules (2007) 12, 2038-46
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 35.41 |
| 2 (CH2) | 22.77 |
| 3 (CH) | 80.83 |
| 4 (C) | 37.62 |
| 5 (CH) | 49.26 |
| 6 (CH2) | 24.26 |
| 7 (CH) | 119.97 |
| 8 (C) | 142.7 |
| 9 (C) | 146.65 |
| 10 (C) | 37.8 |
| 11 (CH) | 116.5 |
| 12 (CH2) | 37.24 |
| 13 (C) | 43.74 |
| 14 (C) | 50.32 |
| 15 (CH2) | 25.99 |
| 16 (CH2) | 31.45 |
| 17 (CH) | 50.77 |
| 18 (CH3) | 16.92 |
| 19 (CH3) | 22.82 |
| 20 (CH) | 36.45 |
| 21 (CH3) | 18.56 |
| 22 (CH2) | 32.62 |
| 23 (CH2) | 27.78 |
| 24 (CH) | 76.64 |
| 25 (C) | 73.27 |
| 26 (CH2) | 68.45 |
| 27 (CH3) | 20.19 |
| 28 (CH3) | 28.08 |
| 29 (CH3) | 15.66 |
| 30 (CH3) | 25.53 |
| 3a (C) | 170.64 |
| 3b (CH3) | 20.83 |
| 24a (C) | 170.93 |
| 24b (CH3) | 20.99 |
| 26a (C) | 171.11 |
| 26b (CH3) | 21.29 |
