Spektraris NMR
Terracinolides G
Common Name: Terracinolides G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H50O16/c1-17(2)32(44)50-31-26(46-19(4)37)30(48-21(6)39)33(9,10)14-12-18(3)27(43)35(45)16-34(11,51-22(7)40)28(47-20(5)38)25(35)29-36(31,52-23(8)41)15-13-24(42)49-29/h12,14,17-18,25-26,28-31,45H,13,15-16H2,1-11H3/b14-12+/t18-,25+,26-,28+,29+,30+,31+,34+,35+,36?/m0/s1
InChIKey: InChIKey=AALSAFLHXNIBQV-AQJYTIQUSA-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) | 52.3 |
| 2 (C) | 87.4 |
| 3 (CH) | 79.1 |
| 4 (CH) | 44.6 |
| 5 (CH) | 72.2 |
| 6 (C) | 81 |
| 7 (CH) | 66.6 |
| 8 (CH) | 67.2 |
| 9 (CH) | 81.3 |
| 10 (C) | 39.9 |
| 11 (CH) | 136.3 |
| 12 (CH) | 129.1 |
| 13 (CH) | 43.6 |
| 14 (C) | 213.2 |
| 15 (C) | 84.4 |
| 16 (CH3) | 18.3 |
| 17 (CH2) | 25.1 |
| 18 (CH3) | 26.1 |
| 19 (CH3) | 22.5 |
| 20 (CH3) | 21.4 |
| 21 (CH2) | 28.8 |
| 22 (C) | 172.5 |
| 2a (C) | 170.1 |
| 2b (CH3) | 22.4 |
| 3a (C) | 169.8 |
| 3b (CH3) | 22.3 |
| 6a (C) | 169.3 |
| 6b (CH3) | 20.8 |
| 7a (C) | 174.6 |
| 7b (CH) | 34.2 |
| 7c (CH3) | 18.8 |
| 7d (CH3) | 18 |
| 8a (C) | 169.3 |
| 8b (CH3) | 21 |
| 9a (C) | 169.1 |
| 9b (CH3) | 20.7 |
