Spektraris NMR
Neodactyloquinone
Common Name: Neodactyloquinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O4/c1-13-7-6-8-17-21(13,3)10-9-20(2)12-14-18(24)16(25-5)11-15(23)19(14)26-22(17,20)4/h11,17H,1,6-10,12H2,2-5H3/t17-,20+,21-,22+/m1/s1
InChIKey: InChIKey=FDSDIYQHKYXSBM-YCZSINBZSA-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 (2003) 66, 46-50
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Friedodrimanes; 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) | 21.2 |
| 2 (CH2) | 27.7 |
| 3 (CH2) | 32.7 |
| 4 (C) | 158.3 |
| 5 (C) | 41.4 |
| 6 (CH2) | 30.8 |
| 7 (CH2) | 32.3 |
| 8 (C) | 34.6 |
| 9 (C) | 86.4 |
| 10 (CH) | 47.8 |
| 11 (CH2) | 103.7 |
| 12 (CH3) | 20.8 |
| 13 (CH3) | 24.3 |
| 14 (CH3) | 19.1 |
| 15 (CH2) | 26.8 |
| 1' (C) | 114.6 |
| 2' (C) | 151.2 |
| 3' (C) | 181.5 |
| 4' (CH) | 104.7 |
| 5' (C) | 159.5 |
| 6' (C) | 181.5 |
| 5'a (CH3) | 56.3 |
