Spektraris NMR
Jatropha factor C6
Common Name: Jatropha factor C6
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C44H54O8/c1-5-6-7-8-9-11-14-17-32-24-33-18-15-12-10-13-16-19-38(47)52-43-25-30(3)44(50)35(39(43)41(43,4)28-51-37(46)21-20-34(32)33)23-31(27-45)26-42(49)36(44)22-29(2)40(42)48/h7-18,20-23,30,32-36,39,45,49-50H,5-6,19,24-28H2,1-4H3/b8-7+,11-9+,12-10+,16-13+,17-14+,18-15-,21-20-/t30-,32?,33?,34?,35+,36-,39-,41-,42-,43+,44-/m1/s1
InChIKey: InChIKey=XKZPTQQUFFIGKZ-BJLLHTDRSA-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) | 161 |
| 2 (C) | 133.2 |
| 3 (C) | 208.7 |
| 4 (C) | 74.2 |
| 5 (CH2) | 38.9 |
| 6 (C) | 140.9 |
| 7 (CH) | 129.4 |
| 8 (CH) | 38.6 |
| 9 (C) | 76 |
| 10 (CH) | 56.1 |
| 11 (CH) | 36.6 |
| 12 (CH2) | 31.9 |
| 13 (C) | 64.6 |
| 14 (CH) | 30.3 |
| 15 (C) | 26.6 |
| 16 (CH2) | 69.3 |
| 17 (CH3) | 11 |
| 18 (CH3) | 18.6 |
| 19 (CH3) | 10.4 |
| 20 (CH2) | 68.2 |
| 1' (C) | 173.9 |
| 2' (CH2) | 39 |
| 3' (CH) | 122.1 |
| 4' (CH) | 136.7 |
| 5' (CH) | 132.3 |
| 6' (CH) | 130.6 |
| 7' (CH) | 132.3 |
| 8' (CH) | 135.1 |
| 9' (CH) | 35.7 |
| 10' (CH2) | 31.9 |
| 11' (C) | 166.3 |
| 12' (CH) | 119.6 |
| 13' (CH) | 153.3 |
| 14' (CH) | 46.1 |
| 15' (CH) | 43.4 |
| 16' (CH) | 136.4 |
| 17' (CH) | 132.3 |
| 18' (CH) | 132.3 |
| 19' (CH) | 132.3 |
| 20' (CH) | 130.9 |
| 21' (CH) | 135.3 |
| 22' (CH2) | 35.3 |
| 23' (CH2) | 23 |
| 24' (CH3) | 14 |
