Spektraris NMR
15-Acetoxy-7-oxodehydroabietic Acid
Common Name: 15-Acetoxy-7-oxodehydroabietic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O5/c1-13(23)27-20(2,3)14-7-8-16-15(11-14)17(24)12-18-21(16,4)9-6-10-22(18,5)19(25)26/h7-8,11,18H,6,9-10,12H2,1-5H3,(H,25,26)/t18?,21-,22-/m1/s1
InChIKey: InChIKey=MVSNOMINTBGJOH-IPKCRJEZSA-N
Formula: C22H28O5
Molecular Weight: 372.455555
Exact Mass: 372.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - uo, Y.H., Yeh, M.H., Lin, H.C. Chem Pharm Bull (2004) 52, 861-3
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) | 36.8 |
| 2 (CH2) | 18 |
| 3 (CH2) | 37.6 |
| 4 (C) | 46.3 |
| 5 (CH) | 43.3 |
| 6 (CH2) | 26.1 |
| 7 (C) | 198.4 |
| 8 (C) | 130.5 |
| 9 (C) | 153.7 |
| 10 (C) | 37.2 |
| 11 (CH) | 123.5 |
| 12 (CH) | 130.1 |
| 13 (C) | 144.1 |
| 14 (CH) | 123.2 |
| 15 (C) | 81 |
| 16 (CH3) | 28.5 |
| 17 (CH3) | 28.5 |
| 18 (C) | 183 |
| 19 (CH3) | 16.1 |
| 20 (CH3) | 23.5 |
| 21 (C) | 170.8 |
| 22 (CH3) | 22.3 |
