Spektraris NMR
Komarovinone B
Common Name: Komarovinone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O4/c1-11(2)14-17(23)15-12(22)10-13-20(3,4)8-7-9-21(13,5)16(15)18(24)19(14)25-6/h10-11,23-24H,7-9H2,1-6H3/t21-/m0/s1
InChIKey: InChIKey=HZYJQLGMKDQTNI-NRFANRHFSA-N
Formula: C21H28O4
Molecular Weight: 344.445415
Exact Mass: 344.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Uchiyama, N., Kiuchi, F., Ito, M., Honda, G., Takeda, Y., Khodzhimatov, O.K., Ashurmetov, O.A. Tetrahedron (2006) 62, 4355-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 34.3 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 40.4 |
| 4 (C) | 38.2 |
| 5 (C) | 176.5 |
| 6 (CH) | 123.2 |
| 7 (C) | 190.9 |
| 8 (C) | 111.1 |
| 9 (C) | 135.4 |
| 10 (C) | 43 |
| 11 (C) | 138.1 |
| 12 (C) | 150.8 |
| 13 (C) | 125.8 |
| 14 (C) | 156.7 |
| 15 (CH) | 26.1 |
| 16 (CH3) | 20.4 |
| 17 (CH3) | 20.3 |
| 18 (CH3) | 33 |
| 19 (CH3) | 29.4 |
| 20 (CH3) | 24.8 |
| 12a (CH3) | 62.1 |
