Spektraris NMR
Jatropha factor C3
Common Name: Jatropha factor C3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C44H54O8/c1-6-8-9-10-11-12-14-17-32-31(7-2)33-18-15-13-16-19-38(47)52-43-24-29(4)44(50)35(39(43)41(43,5)27-51-37(46)21-20-34(32)33)23-30(26-45)25-42(49)36(44)22-28(3)40(42)48/h7,9-18,20-23,29,31-36,39,45,49-50H,2,6,8,19,24-27H2,1,3-5H3/b10-9+,12-11+,16-13+,17-14+,18-15+,21-20-/t29-,31?,32?,33?,34?,35+,36-,39-,41-,42-,43+,44-/m1/s1
InChIKey: InChIKey=GVPDXTWEMCWUNU-CNTKGHEMSA-N
Formula: C44H54O8
Molecular Weight: 710.89642
Exact Mass: 710.381869
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Haas, W., Sterk, H., Mittelbach, M. J Nat Prod (2002) 65, 1434-40
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Ingenanes; 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) | 160.8 |
| 2 (C) | 133.1 |
| 3 (C) | 208.7 |
| 4 (C) | 74 |
| 5 (CH2) | 38.9 |
| 6 (C) | 140.7 |
| 7 (CH) | 129.1 |
| 8 (CH) | 38.5 |
| 9 (C) | 76 |
| 10 (CH) | 55.9 |
| 11 (CH) | 36.5 |
| 12 (CH2) | 31.9 |
| 13 (C) | 64.4 |
| 14 (CH) | 30.2 |
| 15 (C) | 26.3 |
| 16 (CH2) | 69.4 |
| 17 (CH3) | 10.9 |
| 18 (CH3) | 18.6 |
| 19 (CH3) | 10.2 |
| 20 (CH2) | 68.2 |
| 1' (C) | 173.8 |
| 2' (CH2) | 38.6 |
| 3' (CH) | 123.3 |
| 4' (CH) | 133.9 |
| 5' (CH) | 129.8 |
| 6' (CH) | 131.6 |
| 7' (CH) | 48.9 |
| 8' (CH) | 47.1 |
| 9' (CH) | 137.7 |
| 10' (CH2) | 115.9 |
| 11' (C) | 166.6 |
| 12' (CH) | 119 |
| 13' (CH) | 145.9 |
| 14' (CH) | 42.1 |
| 15' (CH) | 44.1 |
| 16' (CH) | 132 |
| 17' (CH) | 130.4 |
| 18' (CH) | 130.4 |
| 19' (CH) | 130.4 |
| 20' (CH) | 130.7 |
| 21' (CH) | 135.6 |
| 22' (CH2) | 35.3 |
| 23' (CH2) | 23 |
| 24' (CH3) | 14 |
