Spektraris NMR
6,15-Dihydroxy-7-oxoabieta-5,8,11,13-tetraen-18-oic acid
Common Name: 6,15-Dihydroxy-7-oxoabieta-5,8,11,13-tetraen-18-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O5/c1-18(2,25)11-6-7-13-12(10-11)14(21)15(22)16-19(13,3)8-5-9-20(16,4)17(23)24/h6-7,10,22,25H,5,8-9H2,1-4H3,(H,23,24)/t19-,20-/m1/s1
InChIKey: InChIKey=PNOWBPLGQBALJM-WOJBJXKFSA-N
Formula: C20H24O5
Molecular Weight: 344.402321
Exact Mass: 344.162374
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Alvarez-Manzaneda, E.J., Chahboun, R., Guardia, J.J., Lachkar, M., Dahdouh, A., Lara, A., Messouri, I. Tetrahedron Lett (2006) 47, 2577-80
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 36.6 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 35.6 |
| 4 (C) | 46.3 |
| 5 (C) | 145.1 |
| 6 (C) | 137.6 |
| 7 (C) | 177.8 |
| 8 (C) | 128.5 |
| 9 (C) | 152.7 |
| 10 (C) | 40 |
| 11 (CH) | 125.6 |
| 12 (CH) | 130.7 |
| 13 (C) | 149.6 |
| 14 (CH) | 122.7 |
| 15 (C) | 71.8 |
| 16 (CH3) | 32 |
| 17 (CH3) | 32 |
| 18 (C) | 180.6 |
| 19 (CH3) | 36 |
| 20 (CH3) | 21.4 |
