Spektraris NMR
Abiesanordines I
Common Name: Abiesanordines I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-21(13-28-20(26)8-7-19(25)27-3)9-4-10-22(2)16-6-5-14(23)11-15(16)17(24)12-18(21)22/h11,16,18H,4-10,12-13H2,1-3H3/t16-,18-,21-,22+/m0/s1
InChIKey: InChIKey=ZIMFRCGRQYSZJW-KCOOCBJMSA-N
Formula: C22H30O6
Molecular Weight: 390.470842
Exact Mass: 390.204239
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) | 39.2 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 36.7 |
| 4 (C) | 38 |
| 5 (CH) | 44.1 |
| 6 (CH2) | 38.1 |
| 7 (C) | 201.2 |
| 8 (C) | 154.8 |
| 9 (CH) | 52.6 |
| 10 (C) | 37.1 |
| 11 (CH2) | 24.1 |
| 12 (CH2) | 38.8 |
| 13 (C) | 202.6 |
| 14 (CH) | 130 |
| 18 (CH2) | 72.5 |
| 19 (CH3) | 17.5 |
| 20 (CH3) | 15.3 |
| 18a (C) | 173.9 |
| 18b (CH2) | 30 |
| 18c (CH2) | 29.7 |
| 18d (C) | 174.6 |
| 18da (CH3) | 52.2 |
