Spektraris NMR
Deacetylpseudolaric acid A
Common Name: Deacetylpseudolaric acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-13-6-10-19-11-8-15(20(19,24)12-7-13)18(3,25-17(19)23)9-4-5-14(2)16(21)22/h4-6,9,15,24H,7-8,10-12H2,1-3H3,(H,21,22)/b9-4+,14-5+/t15-,18+,19+,20-/m0/s1
InChIKey: InChIKey=MQOMHFMKUJFDBH-SWRVIOJRSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Liu, P., Guo, H., Wang, W., Zhang, J., Li, N., Han, J., Zhou, J., Hu, Y., Zhang, T., Liu, Z., Guo, D. J Nat Prod (2007) 70, 533-7
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) | 33.2 |
| 2 (CH2) | 24.3 |
| 3 (C) | 138.4 |
| 4 (CH) | 123.5 |
| 5 (CH2) | 26.7 |
| 6 (C) | 54.5 |
| 7 (CH2) | 34.3 |
| 8 (CH2) | 26.4 |
| 9 (CH) | 53 |
| 10 (C) | 78.7 |
| 11 (CH3) | 26.5 |
| 12 (C) | 174.2 |
| 13 (C) | 82.8 |
| 14 (CH3) | 27.8 |
| 15 (CH) | 146 |
| 16 (CH) | 120 |
| 17 (CH) | 136.5 |
| 18 (C) | 127.4 |
| 19 (CH3) | 12.5 |
| 20 (C) | 168.9 |
