Spektraris NMR
Lactucain A
Common Name: Lactucain A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H32O7/c1-11-7-17(31)21-13(3)9-19(25-15(5)29(33)36-27(25)23(11)21)35-20-10-14(4)22-18(32)8-12(2)24(22)28-26(20)16(6)30(34)37-28/h7-8,16,19-20,23-28H,5,9-10H2,1-4,6H3/t16-,19-,20-,23-,24-,25+,26+,27+,28+/m0/s1
InChIKey: InChIKey=AULGBYCWKJOWIY-KVXFZUJMSA-N
Formula: C30H32O7
Molecular Weight: 504.572016
Exact Mass: 504.214803
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) | 134.1 |
| 2 (C) | 196.7 |
| 3 (CH) | 135.6 |
| 4 (C) | 172 |
| 5 (CH) | 51.6 |
| 6 (CH) | 82 |
| 7 (CH) | 59.9 |
| 8 (CH) | 74.8 |
| 9 (CH2) | 45.4 |
| 10 (C) | 147.7 |
| 11 (CH) | 41.2 |
| 12 (C) | 179.1 |
| 13 (CH3) | 15.3 |
| 14 (CH3) | 21.1 |
| 15 (CH3) | 19.6 |
| 1' (C) | 133.7 |
| 2' (C) | 196.5 |
| 3' (CH) | 135.5 |
| 4' (C) | 171.8 |
| 5' (CH) | 51.5 |
| 6' (CH) | 82.5 |
| 7' (CH) | 55.9 |
| 8' (CH) | 73.6 |
| 9' (CH2) | 44.9 |
| 10' (C) | 147.4 |
| 11' (C) | 136.6 |
| 12' (C) | 170.1 |
| 13' (CH2) | 123.4 |
| 14' (CH3) | 21 |
| 15' (CH3) | 19.6 |
