Spektraris NMR
Pseudolaric acid C2
Common Name: Pseudolaric acid C2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O8/c1-13(17(24)25)5-4-9-20(3)16-8-11-21(19(28)30-20)10-6-15(18(26)27)7-12-22(16,21)29-14(2)23/h4-6,9,16H,7-8,10-12H2,1-3H3,(H,24,25)(H,26,27)/b9-4+,13-5+/t16-,20+,21+,22-/m0/s1
InChIKey: InChIKey=ZPSQWDVEMDWXPJ-HPHAYBORSA-N
Formula: C22H26O8
Molecular Weight: 418.437889
Exact Mass: 418.162768
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, E., Clark, A.M., Hufford, C.D. J Nat Prod (1995) 58, 57-67
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Sphenolobanes; 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) | 30.6 |
| 2 (CH2) | 19.7 |
| 3 (C) | 133.8 |
| 4 (CH) | 144.4 |
| 5 (CH2) | 27.9 |
| 6 (C) | 55.3 |
| 7 (CH2) | 33.3 |
| 8 (CH2) | 24.3 |
| 9 (CH) | 49.3 |
| 10 (C) | 90 |
| 11 (C) | 172.6 |
| 12 (C) | 172.7 |
| 13 (C) | 83.7 |
| 14 (CH3) | 28.5 |
| 15 (CH) | 144.5 |
| 16 (CH) | 121.7 |
| 17 (CH) | 138.8 |
| 18 (C) | 127.8 |
| 19 (CH3) | 12.6 |
| 20 (C) | 173.5 |
| 10a (C) | 169.4 |
| 10b (CH3) | 21.8 |
