Spektraris NMR
(16S)-Plectrinone A
Common Name: (16S)-Plectrinone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O6/c1-8(21)5-11-17(24)15-13(22)6-12-9(2)10(3)14(23)7-20(12,4)16(15)19(26)18(11)25/h6,8,21,24-26H,5,7H2,1-4H3/t8?,20-/m0/s1
InChIKey: InChIKey=RHZKGSAKRGMZTK-YTPZWRSRSA-N
Formula: C20H22O6
Molecular Weight: 358.385844
Exact Mass: 358.141638
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bruno, M., Torre, M.C.d.l., Savona, G., Piozzi, F., Rodriguez, B. Phytochemistry (1990) 29, 2710-2
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-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) | 45.7 |
| 2 (C) | 196.5 |
| 3 (C) | 131.1 |
| 4 (C) | 146.1 |
| 5 (C) | 161.2 |
| 6 (CH) | 123.8 |
| 7 (C) | 189.7 |
| 8 (C) | 107.4 |
| 9 (C) | 136.2 |
| 10 (C) | 42.5 |
| 11 (C) | 136.5 |
| 12 (C) | 152 |
| 13 (C) | 112 |
| 14 (C) | 157 |
| 15 (CH2) | 31.4 |
| 16 (CH) | 69.6 |
| 17 (CH3) | 22.5 |
| 18 (CH3) | 17.1 |
| 19 (CH3) | 11.6 |
| 20 (CH3) | 24.5 |
