Spektraris NMR
CHEMBL253321
Common Name: CHEMBL253321
Synonyms: CHEMBL253321
CAS Registry Number:
InChI: InChI=1S/C22H32O7/c1-22(2,26)19(23)12-11-18(21(25)28-4)10-6-9-17(20(24)27-3)8-5-7-16-13-14-29-15-16/h8,10,13-15,19,23,26H,5-7,9,11-12H2,1-4H3/b17-8+,18-10+/t19-/m0/s1
InChIKey: InChIKey=WILPRVDBMLKDJM-UAXKEHNXSA-N
Formula: C22H32O7
Molecular Weight: 408.486128
Exact Mass: 408.214803
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hikawczuk, V.E.J., Saad, J.R., Giordano, O.S., Garcia, C., Martin, T., Martin, V.S., Sosa, M.E., Tonn, C.E. J Nat Prod (2008) 71, 190-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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) | 142.7 |
| 2 (CH) | 110.7 |
| 3 (C) | 123.7 |
| 4 (CH2) | 23.9 |
| 5 (CH2) | 29.2 |
| 6 (CH) | 142.3 |
| 7 (C) | 131.3 |
| 8 (CH2) | 26.1 |
| 9 (CH2) | 28.1 |
| 10 (CH) | 142.5 |
| 11 (C) | 132 |
| 12 (CH2) | 23.3 |
| 13 (CH2) | 31.1 |
| 14 (CH) | 60.3 |
| 15 (C) | 72.6 |
| 16 (CH3) | 26.1 |
| 17 (CH3) | 23.3 |
| 18 (C) | 168.4 |
| 19 (C) | 167.9 |
| 20 (CH) | 138.8 |
| 18a (CH3) | 51.8 |
| 19a (CH3) | 51.4 |
