Spektraris NMR
Dactyloquinone A
Common Name: Dactyloquinone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O4/c1-13-7-6-9-22-20(13,3)10-8-14(2)21(22,4)12-15-18(24)17(25-5)11-16(23)19(15)26-22/h11,14H,1,6-10,12H2,2-5H3/t14-,20+,21+,22-/m0/s1
InChIKey: InChIKey=VHEIQBFDIYFDPD-VKPKAYIDSA-N
Formula: C22H28O4
Molecular Weight: 356.456151
Exact Mass: 356.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mitome, H., Nagasawa, T., Miyaoka, H., Yamada, Y., van Soest, R.W. J Nat Prod (2001) 64, 1506-8
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 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) | 25 |
| 2 (CH2) | 22.1 |
| 3 (CH2) | 31.4 |
| 4 (C) | 155 |
| 5 (C) | 43.8 |
| 6 (CH2) | 31 |
| 7 (CH2) | 26.8 |
| 8 (CH) | 32.6 |
| 9 (C) | 37.4 |
| 10 (C) | 89.1 |
| 11 (CH2) | 106 |
| 12 (CH3) | 23.9 |
| 13 (CH3) | 16.2 |
| 14 (CH3) | 19.1 |
| 15 (CH2) | 28.4 |
| 1' (C) | 115.4 |
| 2' (C) | 152.3 |
| 3' (C) | 181 |
| 4' (CH) | 104.9 |
| 5' (C) | 159.3 |
| 6' (C) | 181.3 |
| 5'a (CH3) | 56.3 |
