Spektraris NMR
Lanceocrepidiaside B
Common Name: Lanceocrepidiaside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O11/c1-13-18-8-5-16(23(18)27-19(10-20(13)31)14(2)28(36)40-27)11-38-29-26(35)25(34)24(33)21(39-29)12-37-22(32)9-15-3-6-17(30)7-4-15/h3-7,14,19-21,23-27,29-31,33-35H,8-12H2,1-2H3/t14-,19-,20+,21+,23-,24+,25-,26+,27-,29+/m0/s1
InChIKey: InChIKey=RXSKLDPLNDXENS-MVDAHXLOSA-N
Formula: C29H36O11
Molecular Weight: 560.590662
Exact Mass: 560.225762
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) | 127.8 |
| 4 (C) | 142.1 |
| 5 (CH) | 52.2 |
| 6 (CH) | 85.4 |
| 7 (CH) | 47 |
| 8 (CH2) | 34.1 |
| 9 (CH) | 71.7 |
| 10 (C) | 135 |
| 11 (CH) | 41.3 |
| 12 (C) | 178.7 |
| 13 (CH3) | 12.3 |
| 14 (CH3) | 22.4 |
| 15 (CH2) | 68.3 |
| 1' (CH) | 103.3 |
| 2' (CH) | 74.9 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71.5 |
| 5' (CH) | 75 |
| 6' (CH2) | 65.1 |
| 6'a (C) | 125.4 |
| 6'b (CH2) | 131.1 |
| 6'c (C) | 116.2 |
| 6'd (CH) | 157.7 |
| 6'e (CH) | 116.2 |
| 6'f (C) | 131.1 |
| 6'g (CH) | 40.5 |
| 6'h (CH) | 172.6 |
