Spektraris NMR
Grandilobatin A
Common Name: Grandilobatin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O4/c1-16-8-7-10-20(5,24)12-13-21(25-6,19(3,4)23)11-9-17(2)15-18(22)14-16/h8,12-13,17,23-24H,7,9-11,14-15H2,1-6H3/b13-12+,16-8+/t17-,20+,21+/m0/s1
InChIKey: InChIKey=PUAPJGQBSUWLAY-MBUZTULVSA-N
Formula: C21H36O4
Molecular Weight: 352.508941
Exact Mass: 352.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmed, A.F., Tai, S.H., Wen, Z.H., Su, J.H., Wu, Y.C., Hu, W.P., Sheu, J.H. J Nat Prod (2008) 71, 946-51
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 (C) | 83.2 |
| 2 (CH) | 128.1 |
| 3 (CH) | 140.8 |
| 4 (C) | 73.6 |
| 5 (CH2) | 43.8 |
| 6 (CH2) | 23.4 |
| 7 (CH) | 129.1 |
| 8 (C) | 130.4 |
| 9 (CH2) | 52.3 |
| 10 (C) | 208.5 |
| 11 (CH2) | 51.5 |
| 12 (CH) | 32 |
| 13 (CH2) | 31.5 |
| 14 (CH2) | 29.9 |
| 15 (C) | 75.8 |
| 16 (CH3) | 24.9 |
| 17 (CH3) | 26.3 |
| 18 (CH3) | 29 |
| 19 (CH3) | 18.1 |
| 20 (CH3) | 21.9 |
| 1a (CH3) | 51.5 |
