Spektraris NMR
Physacoztomatin
Common Name: Physacoztomatin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O2/c1-14-7-8-18-19(3,4)10-6-11-20(18,5)16(14)13-17(22)15(2)9-12-21/h7,9,16-18,21-22H,6,8,10-13H2,1-5H3/b15-9+/t16-,17+,18-,20+/m0/s1
InChIKey: InChIKey=LHUGFIFIFQNHDA-BVTYEUJZSA-N
Formula: C20H34O2
Molecular Weight: 306.483513
Exact Mass: 306.25588
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Perez-Castorena, A.L., Oropeza, R.F., Vazquez, A.R., Martinez, M., Maldonado, E. J Nat Prod (2006) 69, 1029-33
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) | 39.3 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 42.3 |
| 4 (C) | 33 |
| 5 (CH) | 50.1 |
| 6 (CH2) | 23.9 |
| 7 (CH) | 122.9 |
| 8 (C) | 134.8 |
| 9 (CH) | 50.5 |
| 10 (C) | 36.4 |
| 11 (CH2) | 33.7 |
| 12 (CH) | 77.1 |
| 13 (C) | 142 |
| 14 (CH) | 123.5 |
| 15 (CH2) | 59.1 |
| 16 (CH3) | 12.3 |
| 17 (CH3) | 22.5 |
| 18 (CH3) | 33.1 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 13.6 |
