Spektraris NMR
Pregaleopsin
Common Name: Pregaleopsin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-15(23)26-20(5)17(24)13-16-18(2,3)7-6-8-19(16,4)22(20)10-9-21(27-22)11-12-25-14-21/h11-12,16H,6-10,13-14H2,1-5H3/t16-,19-,20-,21-,22-/m0/s1
InChIKey: InChIKey=DKPXPVKRZLLOSM-XSXWSVAESA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tasdemir, D., Wright, A.D., Sticher, O., Calis, I., Linden, A. J Nat Prod (1995) 58, 1543-54
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 33.4 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 41 |
| 4 (C) | 34.2 |
| 5 (CH) | 50.2 |
| 6 (CH2) | 35.5 |
| 7 (C) | 205.7 |
| 8 (C) | 87.3 |
| 9 (C) | 96.8 |
| 10 (C) | 42.8 |
| 11 (CH2) | 28.4 |
| 12 (CH2) | 38.1 |
| 13 (C) | 94.2 |
| 14 (CH) | 106.7 |
| 15 (CH) | 147.9 |
| 16 (CH2) | 79.9 |
| 17 (CH3) | 15.5 |
| 18 (CH3) | 32.4 |
| 19 (CH3) | 21.3 |
| 20 (CH3) | 17.3 |
| 8a (C) | 168.8 |
| 8b (CH3) | 21.1 |
