Spektraris NMR
Pinnatin B
Common Name: Pinnatin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O6/c1-11(2)15-7-6-14-9-18(28-21(14)26)22(5)10-16(22)17(24)8-12(3)19(25)20(15)27-13(4)23/h8-9,15-16,18,20H,1,6-7,10H2,2-5H3/b12-8-/t15-,16-,18+,20+,22+/m0/s1
InChIKey: InChIKey=NHVCNLPJSZCWRP-NOJHDNFRSA-N
Formula: C22H26O6
Molecular Weight: 386.439079
Exact Mass: 386.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Shi, J., Huang, S.D. J Org Chem (1998) 63, 4425-32
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Gersolanes; 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 (CH) | 77.8 |
| 3 (C) | 197.3 |
| 4 (C) | 140.4 |
| 5 (CH) | 139.9 |
| 6 (C) | 198.6 |
| 7 (CH) | 28.3 |
| 8 (C) | 33 |
| 9 (CH2) | 16.8 |
| 10 (CH) | 83.4 |
| 11 (CH) | 147 |
| 12 (C) | 139.9 |
| 13 (CH2) | 20.4 |
| 14 (CH2) | 29.7 |
| 15 (C) | 143.1 |
| 16 (CH2) | 115.8 |
| 17 (CH3) | 19.5 |
| 18 (CH3) | 20.6 |
| 19 (CH3) | 16 |
| 20 (C) | 173.6 |
| 2a (C) | 170.1 |
| 2b (CH3) | 20.4 |
