Spektraris NMR
Pachyclavulariaenone G
Common Name: Pachyclavulariaenone G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O6/c1-9-5-11(21)15-10(2)8-25-20(4)14(23)6-13(22)19(3,24)7-12-16(9)17(15)18(20)26-12/h5,10,12-18,22-24H,6-8H2,1-4H3/t10-,12-,13+,14+,15-,16-,17-,18-,19+,20-/m0/s1
InChIKey: InChIKey=XIBRAFVSCLBFNY-BMAVYVFVSA-N
Formula: C20H30O6
Molecular Weight: 366.44937
Exact Mass: 366.204239
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Wang, G.H., Sheu, J.H., Duh, C.Y., Chiang, M.Y. J Nat Prod (2002) 65, 1475-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 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 (CH) | 37.2 |
| 2 (CH) | 83.3 |
| 3 (C) | 77.5 |
| 4 (CH) | 69.8 |
| 5 (CH2) | 40 |
| 6 (CH) | 71.6 |
| 7 (C) | 75 |
| 8 (CH2) | 44.8 |
| 9 (CH) | 79 |
| 10 (CH) | 51.4 |
| 11 (C) | 158.6 |
| 12 (CH) | 127.6 |
| 13 (C) | 198 |
| 14 (CH) | 48.3 |
| 15 (CH3) | 16.9 |
| 16 (CH3) | 22.9 |
| 17 (CH3) | 21.5 |
| 18 (CH) | 30.6 |
| 19 (CH3) | 16.9 |
| 20 (CH2) | 64 |
