Spektraris NMR
Cespitularin J
Common Name: Cespitularin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O4/c1-12-6-7-15-8-9-17-19(22(15,4)5)21(25)18(20(17)24)13(2)11-16(10-12)26-14(3)23/h11,15-16,18,20,24H,1,6-10H2,2-5H3/b13-11+/t15-,16+,18+,20+/m1/s1
InChIKey: InChIKey=DRTGEVIELDJQLH-ASBCJFQQSA-N
Formula: C22H30O4
Molecular Weight: 358.472032
Exact Mass: 358.214409
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 (CH2) | 31.1 |
| 3 (CH2) | 22.8 |
| 4 (C) | 144.9 |
| 5 (CH2) | 42.6 |
| 6 (CH) | 70 |
| 7 (CH) | 127.8 |
| 8 (C) | 136.2 |
| 9 (CH) | 62.9 |
| 10 (C) | 203.8 |
| 11 (C) | 146.8 |
| 12 (C) | 168.9 |
| 13 (CH2) | 22.2 |
| 14 (CH2) | 28.6 |
| 15 (C) | 33.8 |
| 16 (CH3) | 30.8 |
| 17 (CH3) | 23.9 |
| 18 (CH) | 73.9 |
| 19 (CH3) | 19.8 |
| 20 (CH2) | 112.7 |
| 6a (C) | 170.7 |
| 6b (CH3) | 21.3 |
