Spektraris NMR
Jatrophane 6
Common Name: Jatrophane 6
Synonyms: Jatrophane 6
CAS Registry Number:
InChI: InChI=1S/C37H48O14/c1-19-16-17-35(8,9)33(49-24(6)41)28(43)30(47-22(4)39)20(2)29(46-21(3)38)27-32(50-34(44)26-14-12-11-13-15-26)36(10,51-25(7)42)18-37(27,45)31(19)48-23(5)40/h11-17,19,27-33,43,45H,2,18H2,1,3-10H3/b17-16+/t19-,27-,28+,29-,30-,31-,32+,33+,36+,37+/m0/s1
InChIKey: InChIKey=FPNGPBYYMDKBKJ-OHGSERNNSA-N
Formula: C37H48O14
Molecular Weight: 716.770053
Exact Mass: 716.304406
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jakupovic, J., Morgenstern, T., Bittner, M., Silva, M. Phytochemistry (1998) 47, 1601-9
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) | 50 |
| 2 (C) | 88.4 |
| 3 (CH) | 80.5 |
| 4 (CH) | 44.5 |
| 5 (CH) | 71.7 |
| 6 (C) | 143.7 |
| 7 (CH) | 68.9 |
| 8 (CH) | 69.9 |
| 9 (CH) | 85.8 |
| 10 (C) | 40 |
| 11 (CH) | 133.9 |
| 12 (CH) | 131.1 |
| 13 (CH) | 37.5 |
| 14 (CH) | 79.3 |
| 15 (C) | 84 |
| 16 (CH3) | 23.6 |
| 17 (CH2) | 109.3 |
| 18 (CH3) | 27 |
| 19 (CH3) | 23.2 |
| 20 (CH3) | 23.3 |
| 2a (C) | 171.8 |
| 2b (CH3) | 22.3 |
| 3a (C) | 164.9 |
| 3b (C) | 129.7 |
| 3c (CH) | 129.7 |
| 3d (CH) | 128.4 |
| 3e (CH) | 133.2 |
| 3f (CH) | 128.4 |
| 3g (CH) | 129.7 |
| 5a (C) | 170.6 |
| 5b (CH3) | 21 |
| 7a (C) | 170.4 |
| 7b (CH3) | 20.9 |
| 9a (C) | 168.5 |
| 9b (CH3) | 20.7 |
| 14a (C) | 168.2 |
| 14b (CH3) | 20.5 |
