Spektraris NMR
Heteroclitalactone J
Common Name: Heteroclitalactone J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H42O9/c1-18-9-13-26(42-30(18)38)34(8,39)29-25(40-19(2)35)17-32(6)24-12-11-23-21(10-14-28(37)43-31(23,4)5)15-22(24)16-27(33(29,32)7)41-20(3)36/h9-12,14-15,23,25-27,29,39H,13,16-17H2,1-8H3/t23-,25+,26-,27+,29+,32+,33-,34+/m1/s1
InChIKey: InChIKey=OZGJHTKUIUKNKQ-VEBMBFKYSA-N
Formula: C34H42O9
Molecular Weight: 594.693177
Exact Mass: 594.282883
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, W., Xu, Z., Yang, M., Liu, R., Liu, P., Guo, D. Magn Reson Chem (2007) 45, 522-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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 (CH) | 141.21 |
| 2 (CH) | 119.37 |
| 3 (C) | 166.5 |
| 4 (C) | 78.62 |
| 5 (CH) | 51.5 |
| 6 (CH) | 123.69 |
| 7 (CH) | 124.2 |
| 8 (C) | 148.48 |
| 9 (C) | 131.12 |
| 10 (C) | 127.5 |
| 11 (CH2) | 37.19 |
| 12 (CH) | 73.75 |
| 13 (C) | 50.49 |
| 14 (C) | 48.75 |
| 15 (CH2) | 40.67 |
| 16 (CH) | 75.14 |
| 17 (CH) | 47.68 |
| 18 (CH3) | 19.03 |
| 19 (CH) | 134.49 |
| 20 (C) | 74.35 |
| 21 (CH3) | 19.85 |
| 22 (CH) | 82.41 |
| 23 (CH2) | 25.22 |
| 24 (CH) | 137.93 |
| 25 (C) | 129.05 |
| 26 (C) | 165 |
| 27 (CH3) | 16.97 |
| 28 (CH3) | 29.08 |
| 29 (CH3) | 25.08 |
| 30 (CH3) | 26.96 |
| 12a (C) | 170 |
| 12b (CH3) | 21.27 |
| 16a (C) | 169.74 |
| 16b (CH3) | 21.39 |
