Spektraris NMR
Terracinolide H
Common Name: Terracinolide H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H54O16/c1-18(2)33(46)51-32-27(48-21(6)39)31(49-22(7)40)35(10,11)15-13-20(5)28(44)38(53-24(9)42)17-36(12,52-23(8)41)29(45)26(38)30-37(32,16-14-25(43)50-30)54-34(47)19(3)4/h13,15,18-20,26-27,29-32,45H,14,16-17H2,1-12H3/b15-13+/t20-,26+,27-,29+,30+,31+,32+,36+,37?,38+/m0/s1
InChIKey: InChIKey=BHWIJZNYLYJFNN-LQBCJFKFSA-N
Formula: C38H54O16
Molecular Weight: 766.827244
Exact Mass: 766.341186
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jakupovic, J., Jeske, F., Morgenstern, T., Tsichritzis, F., Marco, J.A., Berendsohn, W. Phytochemistry (1998) 47, 1583-600
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) | 88.2 |
| 3 (CH) | 77.3 |
| 4 (CH) | 46.8 |
| 5 (CH) | 73.3 |
| 6 (C) | 79.8 |
| 7 (CH) | 66.6 |
| 8 (CH) | 67.4 |
| 9 (CH) | 81.8 |
| 10 (C) | 39.9 |
| 11 (CH) | 134.2 |
| 12 (CH) | 131.1 |
| 13 (CH) | 43.2 |
| 14 (C) | 204.5 |
| 15 (C) | 90.5 |
| 16 (CH3) | 18.3 |
| 17 (CH2) | 25.5 |
| 18 (CH3) | 26.4 |
| 19 (CH3) | 22.6 |
| 20 (CH3) | 20.7 |
| 21 (CH2) | 27.4 |
| 22 (C) | 173 |
| 2a (C) | 169.9 |
| 2b (CH3) | 22.6 |
| 6a (C) | 174.1 |
| 6b (CH) | 33.9 |
| 6c (CH3) | 18.5 |
| 6ba (CH3) | 17.8 |
| 7a (C) | 176.7 |
| 7b (CH) | 35.1 |
| 7c (CH3) | 19.6 |
| 7ba (CH3) | 17.8 |
| 8a (C) | 169.7 |
| 8b (CH3) | 21.4 |
| 9a (C) | 169.6 |
| 9b (CH3) | 21 |
| 15a (C) | 169.2 |
| 15b (CH3) | 20.5 |
