Spektraris NMR
Neoangustifolin
Common Name: Neoangustifolin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O7/c1-11-13-4-5-14-20-10-29-22(27,21(14,8-13)17(11)25)18(26)16(20)19(3,7-6-15(20)24)9-28-12(2)23/h13-18,24-27H,1,4-10H2,2-3H3/t13-,14+,15+,16-,17-,18+,19+,20-,21+,22+/m1/s1
InChIKey: InChIKey=JCFNABVWPGSVJZ-NLSTYEHQSA-N
Formula: C22H32O7
Molecular Weight: 408.486128
Exact Mass: 408.214803
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Sun, H.D., Qiu, S.X., Lin, L.Z., Zhang, R.P., Zhou, Y.S., Zheng, Q.T., Johnson, M.E., Fong, H.H.S., Farnsworth, N.R., Cordell, G.A. J Nat Prod (1997) 60, 203-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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 (CH) | 73.45 |
| 2 (CH2) | 24.33 |
| 3 (CH2) | 33.67 |
| 4 (C) | 37.58 |
| 5 (CH) | 58.89 |
| 6 (CH) | 73.75 |
| 7 (C) | 97.33 |
| 8 (C) | 52.65 |
| 9 (CH) | 43.73 |
| 10 (C) | 41.47 |
| 11 (CH2) | 19.13 |
| 12 (CH2) | 33.08 |
| 13 (CH) | 37.1 |
| 14 (CH2) | 26.89 |
| 15 (CH) | 75.25 |
| 16 (C) | 162.34 |
| 17 (CH2) | 106.86 |
| 18 (CH3) | 26.97 |
| 19 (CH2) | 66.44 |
| 20 (CH2) | 64.23 |
| 19a (C) | 170.81 |
| 19b (CH3) | 20.71 |
