Spektraris NMR
pseudopteradiene
Common Name: pseudopteradiene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O5/c1-11(2)13-6-7-14-9-17(26-20(14)22)19(12(3)4)18-10-15(21(23)24-5)16(8-13)25-18/h6-7,9-10,13,17,19H,1,3,8H2,2,4-5H3/b7-6-/t13-,17-,19-/m1/s1
InChIKey: InChIKey=MVRBAGAFRPZIOR-CMDKEFSVSA-N
Formula: C21H22O5
Molecular Weight: 354.397175
Exact Mass: 354.146724
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) | 49.6 |
| 2 (CH2) | 29.8 |
| 3 (C) | 161.8 |
| 4 (C) | 115 |
| 5 (CH) | 111.4 |
| 6 (C) | 150.1 |
| 7 (CH) | 43 |
| 8 (CH) | 79.9 |
| 9 (CH) | 145.4 |
| 10 (C) | 131.9 |
| 11 (CH) | 118.7 |
| 12 (CH) | 137.7 |
| 13 (C) | 146.8 |
| 14 (CH2) | 110.3 |
| 15 (CH3) | 21.4 |
| 16 (C) | 164 |
| 17 (C) | 140.4 |
| 18 (CH2) | 115.2 |
| 19 (CH3) | 21.5 |
| 20 (C) | 171.8 |
| 16a (CH3) | 51.4 |
