Spektraris NMR
Lanceocrepidiaside C
Common Name: Lanceocrepidiaside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O11/c1-13-9-19(38-29-26(35)25(34)24(33)20(11-30)39-29)22-14(2)28(36)40-27(22)23-16(5-8-18(13)23)12-37-21(32)10-15-3-6-17(31)7-4-15/h3-7,19-20,22-27,29-31,33-35H,2,8-12H2,1H3/t19-,20+,22+,23-,24+,25-,26+,27-,29+/m0/s1
InChIKey: InChIKey=KUKRGJUOYPWVJA-WVGLFDRFSA-N
Formula: C29H34O11
Molecular Weight: 558.574781
Exact Mass: 558.210112
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) | 136.3 |
| 2 (CH2) | 37.2 |
| 3 (CH) | 128.8 |
| 4 (C) | 139.9 |
| 5 (CH) | 52.6 |
| 6 (CH) | 82.5 |
| 7 (CH) | 57.7 |
| 8 (CH) | 78.7 |
| 9 (CH2) | 44.9 |
| 10 (C) | 127.6 |
| 11 (C) | 138.1 |
| 12 (C) | 169.9 |
| 13 (CH2) | 131.1 |
| 14 (CH3) | 22.7 |
| 15 (CH2) | 63.9 |
| 1' (CH) | 105.8 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.6 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 62.7 |
| 15a (C) | 125.4 |
| 15b (CH2) | 131.1 |
| 15c (C) | 116.3 |
| 15d (CH) | 157.9 |
| 15e (CH) | 116.3 |
| 15f (C) | 131.1 |
| 15g (CH) | 40.8 |
| 15h (CH) | 171.9 |
