Spektraris NMR
Lanceocrepidiaside A
Common Name: Lanceocrepidiaside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O9/c1-8-11-4-3-10(7-28-21-18(26)17(25)16(24)14(6-22)29-21)15(11)19-12(5-13(8)23)9(2)20(27)30-19/h3,9,12-19,21-26H,4-7H2,1-2H3/t9-,12-,13+,14+,15-,16+,17-,18+,19-,21+/m0/s1
InChIKey: InChIKey=YKICMEBPTWEZRW-RRSOUIHJSA-N
Formula: C21H30O9
Molecular Weight: 426.458321
Exact Mass: 426.188983
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Takeda, Y., Masuda, T., Morikawa, H., Ayabe, H., Hirata, E., Shinzato, T., Aramoto, M., Otsuka, H. Phytochemistry (2005) 66, 727-32
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (C) | 136.1 |
| 2 (CH2) | 38.5 |
| 3 (CH) | 127.9 |
| 4 (C) | 142.2 |
| 5 (CH) | 52 |
| 6 (CH) | 85.4 |
| 7 (CH) | 47 |
| 8 (CH2) | 34.1 |
| 9 (CH) | 71.7 |
| 10 (C) | 135 |
| 11 (CH) | 41.3 |
| 12 (C) | 179 |
| 13 (CH3) | 12.2 |
| 14 (CH3) | 22.4 |
| 15 (CH2) | 68.4 |
| 1' (CH) | 103.3 |
| 2' (CH) | 75 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.5 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62.5 |
