Spektraris NMR
Chinensine B
Common Name: Chinensine B
Synonyms: Chinensine B
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-13-6-9-16-19(2,3)10-5-11-20(16,4)15(13)8-7-14-12-17(21)23-18(14)22/h7-8,12,15-16,18,22H,1,5-6,9-11H2,2-4H3/b8-7+/t15-,16-,18?,20+/m0/s1
InChIKey: InChIKey=KJUPGEKTXQYTSU-AKHYNURPSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Mohamad, H., Lajis, N.H., Abas, F., Ali, A.M., Sukari, M.A., Kikuzaki, H., Nakatani, N. J Nat Prod (2005) 68, 285-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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 (CH2) | 40.9 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 42.1 |
| 4 (C) | 33.5 |
| 5 (CH) | 54.4 |
| 6 (CH2) | 23.2 |
| 7 (CH2) | 36.6 |
| 8 (C) | 148.7 |
| 9 (CH) | 62.1 |
| 10 (C) | 39.5 |
| 11 (CH) | 144 |
| 12 (CH) | 122.6 |
| 13 (C) | 161 |
| 14 (CH) | 115.5 |
| 15 (C) | 171.2 |
| 16 (CH) | 97.5 |
| 17 (CH2) | 108.5 |
| 18 (CH3) | 33.6 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 15.1 |
