Spektraris NMR
Grandilobatin D
Common Name: Grandilobatin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-15-7-6-8-16(2)13-19(21)14-17(3)10-12-18(11-9-15)20(4,5)22/h8-9,11,17,22H,6-7,10,12-14H2,1-5H3/b15-9+,16-8+,18-11+/t17-/m0/s1
InChIKey: InChIKey=KECRMPBXABTDAG-OKTAHGQMSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
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) | 146.5 |
| 2 (CH) | 118.7 |
| 3 (CH) | 121.8 |
| 4 (C) | 136.7 |
| 5 (CH2) | 39 |
| 6 (CH2) | 25.4 |
| 7 (CH) | 128.9 |
| 8 (C) | 129.2 |
| 9 (CH2) | 53.2 |
| 10 (C) | 209.8 |
| 11 (CH2) | 49.9 |
| 12 (CH) | 29.1 |
| 13 (CH2) | 37.4 |
| 14 (CH2) | 25 |
| 15 (C) | 73.9 |
| 16 (CH3) | 29.7 |
| 17 (CH3) | 29.8 |
| 18 (CH3) | 17.1 |
| 19 (CH3) | 17.2 |
| 20 (CH3) | 20.3 |
