Spektraris NMR
Cespitularin I
Common Name: Cespitularin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O3/c1-11-5-6-13-7-8-15-17(20(13,3)4)19(23)16(18(15)22)12(2)10-14(21)9-11/h10,13-14,16,21H,1,5-9H2,2-4H3/b12-10+/t13-,14+,16+/m1/s1
InChIKey: InChIKey=ZMGJTNFRUOIVTB-OECLBECJSA-N
Formula: C20H26O3
Molecular Weight: 314.419392
Exact Mass: 314.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., Li, C.H., Wang, S.K., Dai, C.F. J Nat Prod (2006) 69, 1188-92
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cespitularanes; 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) | 42.2 |
| 2 (CH2) | 28.2 |
| 3 (CH2) | 30.9 |
| 4 (C) | 144.8 |
| 5 (CH2) | 45.6 |
| 6 (CH) | 66.9 |
| 7 (CH) | 133.2 |
| 8 (C) | 128.8 |
| 9 (CH) | 63 |
| 10 (C) | 200.9 |
| 11 (C) | 165.9 |
| 12 (C) | 155.8 |
| 13 (CH2) | 19.4 |
| 14 (CH2) | 22.2 |
| 15 (C) | 35.1 |
| 16 (CH3) | 30.2 |
| 17 (CH3) | 23.8 |
| 18 (C) | 196.6 |
| 19 (CH3) | 15.7 |
| 20 (CH2) | 112.6 |
