Spektraris NMR
pseudopteranoic acid
Common Name: pseudopteranoic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O5/c1-10(2)12-5-6-13-8-16(25-20(13)23)18(11(3)4)17-9-14(19(21)22)15(7-12)24-17/h8-9,12,16,18H,1,3,5-7H2,2,4H3,(H,21,22)/t12-,16-,18-/m1/s1
InChIKey: InChIKey=MWPXGKCYXBBIKZ-XHBKTUGNSA-N
Formula: C20H22O5
Molecular Weight: 342.386439
Exact Mass: 342.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Soto, J.J. Chem Pharm Bull (1996) 44, 91-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pseudopteranes; 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 (CH) | 41.4 |
| 2 (CH2) | 31.4 |
| 3 (C) | 162.5 |
| 4 (C) | 115.1 |
| 5 (CH) | 110 |
| 6 (C) | 150.7 |
| 7 (CH) | 48.1 |
| 8 (CH) | 80.6 |
| 9 (CH) | 147.2 |
| 10 (C) | 141.2 |
| 11 (CH2) | 34.9 |
| 12 (CH2) | 22.6 |
| 13 (C) | 147 |
| 14 (CH2) | 114.6 |
| 15 (CH3) | 19.1 |
| 16 (C) | 168.4 |
| 17 (C) | 136.8 |
| 18 (CH2) | 111.1 |
| 19 (CH3) | 21.4 |
| 20 (C) | 175.3 |
