Spektraris NMR
Abiesanordines J
Common Name: Abiesanordines J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O5/c1-20(13-26-19(25)9-8-18(23)24)10-3-11-21(2)16-6-5-15(22)12-14(16)4-7-17(20)21/h5-6,12,17,22H,3-4,7-11,13H2,1-2H3,(H,23,24)/t17-,20-,21+/m0/s1
InChIKey: InChIKey=XYBRCNMVXPANFE-DZFGPLHGSA-N
Formula: C21H28O5
Molecular Weight: 360.44482
Exact Mass: 360.193674
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Yang, X.W., Li, S.M., Feng, L., Shen, Y.H., Tian, J.M., Liu, X.H., Zeng, H.W., Zhang, C., Zhang, W.D. Tetrahedron (2008) 64, 4354-62
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Podocarpanes; 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) | 39.8 |
| 2 (CH2) | 19.6 |
| 3 (CH2) | 36.7 |
| 4 (C) | 37.9 |
| 5 (CH) | 46.1 |
| 6 (CH2) | 20.1 |
| 7 (CH2) | 31.3 |
| 8 (C) | 137.3 |
| 9 (C) | 142.4 |
| 10 (C) | 38.3 |
| 11 (CH) | 126.4 |
| 12 (CH) | 114.1 |
| 13 (C) | 155.6 |
| 14 (CH) | 115.7 |
| 18 (CH2) | 73.7 |
| 19 (CH3) | 17.8 |
| 20 (CH3) | 25.9 |
| 18a (C) | 174.4 |
| 18b (CH2) | 30.3 |
| 18c (CH2) | 30.4 |
| 18d (C) | 176.4 |
