Spektraris NMR
Lactucain B
Common Name: Lactucain B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H32O9/c1-11-5-19(23-13(3)29(35)38-27(23)25-15(9-31)7-17(33)21(11)25)37-20-6-12(2)22-18(34)8-16(10-32)26(22)28-24(20)14(4)30(36)39-28/h7-8,14,19-20,23-28,31-32H,3,5-6,9-10H2,1-2,4H3/t14-,19-,20-,23+,24+,25-,26-,27-,28-/m0/s1
InChIKey: InChIKey=AIGKJTXOWFMGLD-MGGPNGNKSA-N
Formula: C30H32O9
Molecular Weight: 536.570825
Exact Mass: 536.204633
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Hou, C.C., Lin, S.J., Cheng, J.T., Hsu, F.L. J Nat Prod (2003) 66, 625-9
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) | 133.4 |
| 2 (C) | 195.8 |
| 3 (CH) | 132.8 |
| 4 (C) | 175.3 |
| 5 (CH) | 49.3 |
| 6 (CH) | 81.6 |
| 7 (CH) | 60.1 |
| 8 (CH) | 74.5 |
| 9 (CH2) | 45.8 |
| 10 (C) | 148.3 |
| 11 (CH) | 41.6 |
| 12 (C) | 178.6 |
| 13 (CH3) | 15.5 |
| 14 (CH3) | 21.2 |
| 15 (CH2) | 62.5 |
| 1' (C) | 133.8 |
| 2' (C) | 195.6 |
| 3' (CH) | 133.1 |
| 4' (C) | 175 |
| 5' (CH) | 49.1 |
| 6' (CH) | 82.1 |
| 7' (CH) | 56.2 |
| 8' (CH) | 73.3 |
| 9' (CH2) | 45.2 |
| 10' (C) | 147.9 |
| 11' (C) | 137.2 |
| 12' (C) | 169.7 |
| 13' (CH2) | 123.4 |
| 14' (CH3) | 21.1 |
| 15' (CH2) | 62.5 |
