Spektraris NMR
Komaroviquinone
Common Name: Komaroviquinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O5/c1-11(2)14-17(23)15-12(16(22)18(14)25-5)9-20-8-6-7-19(3,4)13(20)10-21(15,24)26-20/h11,13,24H,6-10H2,1-5H3/t13-,20-,21-/m0/s1
InChIKey: InChIKey=DUWHKUPNNGPNFK-ZEWGMFERSA-N
Formula: C21H28O5
Molecular Weight: 360.44482
Exact Mass: 360.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Uchiyama N., Kiuchi F., Ito M., Honda G., Takeda Y., Khodzhimatov O.K., Ashurmetov O.A. J Nat Prod (2003) 66, 128-31
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Icetexanes; 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) | 15.6 |
| 2 (CH2) | 29.8 |
| 3 (CH2) | 31.2 |
| 4 (C) | 32 |
| 5 (CH) | 51.4 |
| 6 (CH2) | 45.7 |
| 7 (C) | 100.9 |
| 8 (C) | 142.1 |
| 9 (C) | 138.9 |
| 10 (C) | 79.3 |
| 11 (C) | 183.6 |
| 12 (C) | 156.1 |
| 13 (C) | 137 |
| 14 (C) | 189.1 |
| 15 (CH) | 24.3 |
| 16 (CH3) | 20.4 |
| 17 (CH3) | 20.4 |
| 18 (CH3) | 30.3 |
| 19 (CH3) | 27 |
| 20 (CH2) | 39 |
| 12a (CH3) | 61.1 |
