Spektraris NMR
Grandilobatin B
Common Name: Grandilobatin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-14-7-6-10-20(5)18(23-20)13-16(19(3,4)22)9-8-15(2)12-17(21)11-14/h7,13,15,18,22H,6,8-12H2,1-5H3/b14-7+,16-13+/t15-,18+,20-/m0/s1
InChIKey: InChIKey=IRGVGKNVASOSJW-CPTOAJHLSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
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) | 152.5 |
| 2 (CH) | 119.7 |
| 3 (CH) | 59 |
| 4 (C) | 61.9 |
| 5 (CH2) | 37.5 |
| 6 (CH2) | 23.1 |
| 7 (CH) | 129.7 |
| 8 (C) | 130 |
| 9 (CH2) | 53.1 |
| 10 (C) | 208.5 |
| 11 (CH2) | 49.2 |
| 12 (CH) | 28.3 |
| 13 (CH2) | 38 |
| 14 (CH2) | 25.9 |
| 15 (C) | 73.8 |
| 16 (CH3) | 29.6 |
| 17 (CH3) | 29.8 |
| 18 (CH3) | 18 |
| 19 (CH3) | 17 |
| 20 (CH3) | 21.4 |
