Spektraris NMR
Jatropha factor C1
Common Name: Jatropha factor C1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C44H54O8/c1-6-8-10-11-12-13-14-17-31-35-29(16-9-7-2)30-18-15-19-34(46)52-43-22-27(4)44(50)32(38(43)41(43,5)25-51-40(48)37(30)36(31)35)21-28(24-45)23-42(49)33(44)20-26(3)39(42)47/h7,9-18,20-21,27,29-33,35-38,45,49-50H,2,6,8,19,22-25H2,1,3-5H3/b11-10+,13-12+,16-9-,17-14+,18-15+/t27-,29-,30-,31-,32+,33-,35+,36-,37-,38-,41-,42-,43+,44-/m1/s1
InChIKey: InChIKey=RTRLXYBQXKHELY-HLEZIFCASA-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 |
| 2 (C) | 133.4 |
| 3 (C) | 208.7 |
| 4 (C) | 74 |
| 5 (CH2) | 39.1 |
| 6 (C) | 140.9 |
| 7 (CH) | 129.5 |
| 8 (CH) | 38.9 |
| 9 (C) | 76.4 |
| 10 (CH) | 56.1 |
| 11 (CH) | 36.7 |
| 12 (CH2) | 32 |
| 13 (C) | 63.4 |
| 14 (CH) | 33.4 |
| 15 (C) | 25.9 |
| 16 (CH2) | 74 |
| 17 (CH3) | 12 |
| 18 (CH3) | 18.7 |
| 19 (CH3) | 10.1 |
| 20 (CH2) | 68.4 |
| 1' (C) | 173.3 |
| 2' (CH2) | 38.1 |
| 3' (CH) | 125 |
| 4' (CH) | 136.8 |
| 5' (CH) | 51.7 |
| 6' (CH) | 45 |
| 7' (CH) | 133 |
| 8' (CH) | 131 |
| 9' (CH) | 133.1 |
| 10' (CH2) | 118.1 |
| 11' (C) | 175.2 |
| 12' (CH) | 51.1 |
| 13' (CH) | 26.8 |
| 14' (CH) | 32.3 |
| 15' (CH) | 23.3 |
| 16' (CH) | 130 |
| 17' (CH) | 134.9 |
| 18' (CH) | 130.8 |
| 19' (CH) | 131.8 |
| 20' (CH) | 131 |
| 21' (CH) | 135.8 |
| 22' (CH2) | 35.3 |
| 23' (CH2) | 22.9 |
| 24' (CH3) | 13.9 |
