Spektraris NMR
Lanceocrepidiaside F
Common Name: Lanceocrepidiaside F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O12/c1-13-3-8-18-14(2)27(36)41-26(18)22-16(10-20(31)29(13,22)37)11-39-28-25(35)24(34)23(33)19(40-28)12-38-21(32)9-15-4-6-17(30)7-5-15/h4-7,10,13,18-19,22-26,28,30,33-35,37H,2-3,8-9,11-12H2,1H3/t13?,18-,19+,22+,23+,24-,25+,26-,28+,29?/m0/s1
InChIKey: InChIKey=CVJWQIVIVIAFKM-ZNMCUSAGSA-N
Formula: C29H34O12
Molecular Weight: 574.574186
Exact Mass: 574.205027
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) | 82.3 |
| 2 (C) | 209.6 |
| 3 (CH) | 128.3 |
| 4 (C) | 176.5 |
| 5 (CH) | 58.5 |
| 6 (CH) | 82.3 |
| 7 (CH) | 45.3 |
| 8 (CH2) | 25.1 |
| 9 (CH2) | 27.8 |
| 10 (CH) | 39.6 |
| 11 (C) | 140.1 |
| 12 (C) | 169.7 |
| 13 (CH2) | 120 |
| 14 (CH3) | 14.7 |
| 15 (CH2) | 68.8 |
| 1' (CH) | 104.4 |
| 2' (CH) | 75 |
| 3' (CH) | 78.2 |
| 4' (CH) | 71.3 |
| 5' (CH) | 75.2 |
| 6' (CH2) | 64.9 |
| 6'a (C) | 125.3 |
| 6'b (CH2) | 131.2 |
| 6'c (C) | 116.3 |
| 6'd (CH) | 157.9 |
| 6'e (CH) | 116.3 |
| 6'f (C) | 131.2 |
| 6'g (CH) | 40.4 |
| 6'h (CH) | 172.4 |
