Spektraris NMR
Hongencaotone
Common Name: Hongencaotone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H50O5/c1-21(2)24-17-23-18-29-40(37(7,8)14-12-16-39(40,10)30(23)33(43)32(24)42)45-34-25(22(3)4)19-26-27(41)20-28-36(5,6)13-11-15-38(28,9)31(26)35(34)44-29/h17-22,29,43H,11-16H2,1-10H3/t29-,38-,39+,40+/m1/s1
InChIKey: InChIKey=FDZOSTAWHXJLCT-TURKYLLISA-N
Formula: C40H50O5
Molecular Weight: 610.823498
Exact Mass: 610.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, M., Zhang, J.S., Chen, M.Q. J Nat Prod (2001) 64, 971-2
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 38.87 |
| 2 (CH2) | 18.46 |
| 3 (CH2) | 31.92 |
| 4 (C) | 46.76 |
| 5 (C) | 83.66 |
| 6 (CH) | 70.62 |
| 7 (CH) | 138.37 |
| 8 (C) | 134.49 |
| 9 (C) | 123.73 |
| 10 (C) | 40.39 |
| 11 (C) | 144.42 |
| 12 (C) | 181.8 |
| 13 (C) | 142.24 |
| 14 (CH) | 134.6 |
| 15 (CH) | 26.98 |
| 16 (CH3) | 20.96 |
| 17 (CH3) | 21.58 |
| 18 (CH3) | 24.35 |
| 19 (CH3) | 24.44 |
| 20 (CH3) | 30.59 |
| 1' (CH2) | 34.57 |
| 2' (CH2) | 18.74 |
| 3' (CH2) | 40.12 |
| 4' (C) | 38.06 |
| 5' (C) | 173.73 |
| 6' (CH) | 123.92 |
| 7' (C) | 185.47 |
| 8' (C) | 122.94 |
| 9' (C) | 139.47 |
| 10' (C) | 42.09 |
| 11' (C) | 138.41 |
| 12' (C) | 148.16 |
| 13' (C) | 135.02 |
| 14' (CH) | 117.56 |
| 15' (CH) | 27.63 |
| 16' (CH3) | 21.53 |
| 17' (CH3) | 22.31 |
| 18' (CH3) | 29.74 |
| 19' (CH3) | 33.3 |
| 20' (CH3) | 25.25 |
