Spektraris NMR
Lanceocrepidiaside E
Common Name: Lanceocrepidiaside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O11/c1-13-3-8-18-14(2)28(36)40-27(18)23-16(10-19(31)22(13)23)11-38-29-26(35)25(34)24(33)20(39-29)12-37-21(32)9-15-4-6-17(30)7-5-15/h4-7,10,14,18,20,23-27,29-30,33-35H,3,8-9,11-12H2,1-2H3/t14-,18-,20+,23-,24+,25-,26+,27-,29+/m0/s1
InChIKey: InChIKey=GAMSURTVDXDTRP-CUJUGGJGSA-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) | 131.7 |
| 2 (C) | 195.1 |
| 3 (CH) | 134.4 |
| 4 (C) | 169.7 |
| 5 (CH) | 49.8 |
| 6 (CH) | 83.7 |
| 7 (CH) | 55.6 |
| 8 (CH2) | 25.8 |
| 9 (CH2) | 37.5 |
| 10 (C) | 152.9 |
| 11 (CH) | 41.3 |
| 12 (C) | 177.4 |
| 13 (CH3) | 12.2 |
| 14 (CH3) | 21.3 |
| 15 (CH2) | 68.9 |
| 1' (CH) | 104.3 |
| 2' (CH) | 75.1 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.4 |
| 5' (CH) | 75.3 |
| 6' (CH2) | 64.9 |
| 6'a (C) | 125.4 |
| 6'b (CH2) | 131.2 |
| 6'c (C) | 116.3 |
| 6'd (CH) | 158 |
| 6'e (CH) | 116.3 |
| 6'f (C) | 131.2 |
| 6'g (CH) | 40.4 |
| 6'h (CH) | 172.4 |
