Spektraris NMR
Pukalide
Common Name: Pukalide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O6/c1-11(2)12-5-6-13-7-14(25-19(13)22)10-21(3)18(27-21)17-9-15(20(23)24-4)16(8-12)26-17/h7,9,12,14,18H,1,5-6,8,10H2,2-4H3/t12-,14-,18-,21+/m0/s1
InChIKey: InChIKey=PPHCYWKQJLNLQQ-LSMNFQPXSA-N
Formula: C21H24O6
Molecular Weight: 372.412461
Exact Mass: 372.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Grote, D., Dahse, H.M., Seifert, K. Chem Biodivers (2008) 5, 2449-56
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 40.6 |
| 2 (CH2) | 32.4 |
| 3 (C) | 160.3 |
| 4 (C) | 113.8 |
| 5 (CH) | 106.5 |
| 6 (C) | 148.2 |
| 7 (CH) | 55 |
| 8 (C) | 57 |
| 9 (CH2) | 40 |
| 10 (CH) | 77.8 |
| 11 (CH) | 148 |
| 12 (C) | 137.7 |
| 13 (CH2) | 22.8 |
| 14 (CH2) | 32.5 |
| 15 (C) | 145.9 |
| 16 (CH2) | 113.2 |
| 17 (CH3) | 18.7 |
| 18 (C) | 164.2 |
| 19 (CH3) | 19.9 |
| 20 (C) | 174 |
| 18a (CH3) | 51.3 |
