Spektraris NMR
Heteroclitalactone L
Common Name: Heteroclitalactone L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H42O7/c1-17-8-10-25(38-29(17)36)18(2)22-12-13-31(6)23-16-24(34)28-20(9-11-27(35)39-30(28,4)5)14-21(23)15-26(32(22,31)7)37-19(3)33/h8-9,11,14,18,22,24-26,28,34H,10,12-13,15-16H2,1-7H3/t18-,22+,24+,25+,26-,28-,31-,32-/m0/s1
InChIKey: InChIKey=HSIVCOIZUQHEFF-KLTLZMICSA-N
Formula: C32H42O7
Molecular Weight: 538.672895
Exact Mass: 538.293054
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) | 143.54 |
| 2 (CH) | 119.03 |
| 3 (C) | 166.99 |
| 4 (C) | 80.04 |
| 5 (CH) | 50.89 |
| 6 (CH) | 70.79 |
| 7 (CH2) | 39.51 |
| 8 (C) | 150.6 |
| 9 (C) | 126.48 |
| 10 (C) | 141.36 |
| 11 (CH2) | 37.31 |
| 12 (CH) | 73.71 |
| 13 (C) | 48.96 |
| 14 (C) | 52.09 |
| 15 (CH2) | 31.7 |
| 16 (CH2) | 22.65 |
| 17 (CH) | 39.08 |
| 18 (CH3) | 16.48 |
| 19 (CH) | 142.78 |
| 20 (CH) | 38.51 |
| 21 (CH3) | 12.3 |
| 22 (CH) | 80.04 |
| 23 (CH2) | 23.29 |
| 24 (CH) | 139.06 |
| 25 (C) | 128.48 |
| 26 (C) | 166.32 |
| 27 (CH3) | 17.01 |
| 28 (CH3) | 29.1 |
| 29 (CH3) | 26.27 |
| 30 (CH3) | 26.55 |
| 12a (C) | 169.91 |
| 12b (CH3) | 21.32 |
