Spektraris NMR
7alpha-Acetoxy-8,14beta-diformylpodocarpane-13beta-carboxylic acid methyl ester
Common Name: 7alpha-Acetoxy-8,14beta-diformylpodocarpane-13beta-carboxylic acid methyl ester
Synonyms: 7alpha-Acetoxy-8,14beta-diformylpodocarpane-13beta-carboxylic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C23H34O6/c1-14(26)29-19-11-18-21(2,3)9-6-10-22(18,4)17-8-7-15(20(27)28-5)16(12-24)23(17,19)13-25/h12-13,15-19H,6-11H2,1-5H3/t15-,16-,17-,18+,19-,22-,23+/m1/s1
InChIKey: InChIKey=GKGTVMUZMXQDPZ-CMHDHDCYSA-N
Formula: C23H34O6
Molecular Weight: 406.513341
Exact Mass: 406.235539
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yong, K.W.L., Salim, A.A., Garson, M.J. Tetrahedron (2008) 64, 6733-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isocopalanes; 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) | 38.5 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 41.5 |
| 4 (C) | 32.5 |
| 5 (CH) | 47.3 |
| 6 (CH2) | 23.6 |
| 7 (CH) | 70.1 |
| 8 (C) | 52 |
| 9 (CH) | 53.2 |
| 10 (C) | 37.7 |
| 11 (CH2) | 16.7 |
| 12 (CH2) | 27.5 |
| 13 (CH) | 40.6 |
| 14 (CH) | 53.4 |
| 15 (CH) | 200 |
| 16 (C) | 173.5 |
| 17 (CH) | 202.4 |
| 18 (CH3) | 32.8 |
| 19 (CH3) | 20.9 |
| 20 (CH3) | 15.1 |
| 7a (C) | 169.3 |
| 7b (CH3) | 20.9 |
| 16a (CH3) | 51.9 |
