Spektraris NMR
Terracinolides C
Common Name: Terracinolides C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H50O16/c1-17(2)32(45)49-31-26(46-19(4)37)30(47-20(5)38)33(9,10)14-12-18(3)27(43)36(52-23(8)41)16-34(11,50-21(6)39)28(44)25(36)29-35(31,51-22(7)40)15-13-24(42)48-29/h12,14,17-18,25-26,28-31,44H,13,15-16H2,1-11H3/b14-12+/t18-,25+,26-,28+,29+,30+,31+,34+,35?,36+/m0/s1
InChIKey: InChIKey=WKGYNBDVOPHKOW-AINVYBPUSA-N
Formula: C36H50O16
Molecular Weight: 738.774009
Exact Mass: 738.309886
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marco, J.A., SanzCervera, J.F., Yuste, A., Jakupovic, J. Phytochemistry (1997) 45, 137-40
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Jatrophanes; 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) | 49.9 |
| 2 (C) | 88.1 |
| 3 (CH) | 77.4 |
| 4 (CH) | 46.6 |
| 5 (CH) | 73.2 |
| 6 (C) | 80.2 |
| 7 (CH) | 66.8 |
| 8 (CH) | 67.2 |
| 9 (CH) | 81.8 |
| 10 (C) | 39.9 |
| 11 (CH) | 134.4 |
| 12 (CH) | 130.9 |
| 13 (CH) | 43.1 |
| 14 (C) | 204.9 |
| 15 (C) | 90.7 |
| 16 (CH3) | 18.2 |
| 17 (CH2) | 25.5 |
| 18 (CH3) | 26.1 |
| 19 (CH3) | 23 |
| 20 (CH3) | 20.6 |
| 21 (CH2) | 28.9 |
| 22 (C) | 172.9 |
| 2a (C) | 170 |
| 2b (CH3) | 22.5 |
| 6a (C) | 169.7 |
| 6b (CH3) | 21 |
| 7a (C) | 174.2 |
| 7b (CH) | 33.9 |
| 7c (CH3) | 18.5 |
| 7d (CH3) | 17.9 |
| 8a (C) | 169.3 |
| 8b (CH3) | 22.6 |
| 9a (C) | 169.9 |
| 9b (CH3) | 21.2 |
| 15a (C) | 169.5 |
| 15b (CH3) | 20.6 |
