Spektraris NMR
Terracinolides F
Common Name: Terracinolides F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H56O17/c1-19(2)35(48)54-34-29(50-22(6)41)33(52-24(8)43)37(11,12)16-14-21(5)30(47)40(57-36(49)20(3)4)18-38(13,55-25(9)44)31(51-23(7)42)28(40)32-39(34,56-26(10)45)17-15-27(46)53-32/h14,16,19-21,28-29,31-34H,15,17-18H2,1-13H3/b16-14+/t21-,28+,29-,31+,32+,33+,34+,38+,39?,40+/m0/s1
InChIKey: InChIKey=XTGSNWLCZAUESF-JGXXTFSNSA-N
Formula: C40H56O17
Molecular Weight: 808.864002
Exact Mass: 808.35175
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) | 49.4 |
| 2 (C) | 87 |
| 3 (CH) | 78.3 |
| 4 (CH) | 45.7 |
| 5 (CH) | 71.9 |
| 6 (C) | 79.8 |
| 7 (CH) | 66.4 |
| 8 (CH) | 67.2 |
| 9 (CH) | 81.6 |
| 10 (C) | 39.9 |
| 11 (CH) | 134.5 |
| 12 (CH) | 130.7 |
| 13 (CH) | 43.3 |
| 14 (C) | 204 |
| 15 (C) | 90.3 |
| 16 (CH3) | 17.8 |
| 17 (CH2) | 25.8 |
| 18 (CH3) | 26.4 |
| 19 (CH3) | 22.5 |
| 20 (CH3) | 20.5 |
| 21 (CH2) | 29 |
| 22 (C) | 172.2 |
| 2a (C) | 169.9 |
| 2b (CH3) | 21.3 |
| 3a (C) | 169 |
| 3b (CH3) | 20.7 |
| 6a (C) | 168.5 |
| 6b (CH3) | 22.4 |
| 7a (C) | 176.7 |
| 7b (CH) | 35.1 |
| 7c (CH3) | 19.6 |
| 7d (CH3) | 17.9 |
| 8a (C) | 169.8 |
| 8b (CH3) | 20.9 |
| 9a (C) | 168.9 |
| 9b (CH3) | 20.6 |
| 15a (C) | 174.5 |
| 15b (CH) | 34.1 |
| 15c (CH3) | 18.7 |
| 15d (CH3) | 17.8 |
