Spektraris NMR
Heteroclitalactone K
Common Name: Heteroclitalactone K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H38O8/c1-17-8-12-24(39-28(17)36)32(7,37)27-23(34)16-30(5)22-11-10-21-19(9-13-26(35)40-29(21,3)4)14-20(22)15-25(31(27,30)6)38-18(2)33/h8-11,13-14,21,24-25,27,37H,12,15-16H2,1-7H3/t21-,24-,25+,27+,30+,31-,32+/m1/s1
InChIKey: InChIKey=MMWWHXUOYICJAB-BUDCZANKSA-N
Formula: C32H38O8
Molecular Weight: 550.640537
Exact Mass: 550.256668
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) | 140.96 |
| 2 (CH) | 119.88 |
| 3 (C) | 166.33 |
| 4 (C) | 78.61 |
| 5 (CH) | 51.62 |
| 6 (CH) | 123.91 |
| 7 (CH) | 124.26 |
| 8 (C) | 146.03 |
| 9 (C) | 131.66 |
| 10 (C) | 128.06 |
| 11 (CH2) | 36.79 |
| 12 (CH) | 72.43 |
| 13 (C) | 46.16 |
| 14 (C) | 47.16 |
| 15 (CH2) | 48.41 |
| 16 (C) | 217.46 |
| 17 (CH) | 54.38 |
| 18 (CH3) | 19.15 |
| 19 (CH) | 134.32 |
| 20 (C) | 75.08 |
| 21 (CH3) | 22.34 |
| 22 (CH) | 81.33 |
| 23 (CH2) | 24.66 |
| 24 (CH) | 138.24 |
| 25 (C) | 128.45 |
| 26 (C) | 164.92 |
| 27 (CH3) | 16.94 |
| 28 (CH3) | 29.16 |
| 29 (CH3) | 25.09 |
| 30 (CH3) | 29.16 |
| 12a (C) | 170.28 |
| 12b (CH3) | 21.58 |
