Spektraris NMR
13-Oxopodocarp-8(14)-en-18-oic acid
Common Name: 13-Oxopodocarp-8(14)-en-18-oic acid
Synonyms: 13-Oxopodocarp-8(14)-en-18-oic acid
CAS Registry Number:
InChI: InChI=1S/C17H24O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h10,13-14H,3-9H2,1-2H3,(H,19,20)/t13-,14+,16+,17+/m0/s1
InChIKey: InChIKey=DXXGHDAWCPTRPU-XOSAIJSUSA-N
Formula: C17H24O3
Molecular Weight: 276.371303
Exact Mass: 276.172545
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) | 39.6 |
| 2 (CH2) | 19.2 |
| 3 (CH2) | 38.3 |
| 4 (C) | 48.3 |
| 5 (CH) | 49.4 |
| 6 (CH2) | 25.3 |
| 7 (CH2) | 36.4 |
| 8 (C) | 169.3 |
| 9 (CH) | 53 |
| 10 (C) | 39.5 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 37.5 |
| 13 (C) | 202.6 |
| 14 (CH) | 126.4 |
| 18 (C) | 183.5 |
| 19 (CH3) | 17.9 |
| 20 (CH3) | 15.9 |
