Spektraris NMR
samaderolactone A
Common Name: samaderolactone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O8/c1-8-6-20(25,16(24)26-4)17(2)9(8)5-10(21)19-7-27-18(3)13(19)15(23)28-14(18)11(22)12(17)19/h5-6,11-14,22,25H,7H2,1-4H3/t11-,12-,13+,14+,17+,18-,19-,20+/m1/s1
InChIKey: InChIKey=LHUSSIYFBNCANU-VMUVTPPXSA-N
Formula: C20H22O8
Molecular Weight: 390.384654
Exact Mass: 390.131468
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Coombes, P.H., Naidoo, D., Mulholland, D.A., Randrianarivelojosia, M. Phytochemistry (2005) 66, 2734-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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) | 88.6 |
| 2 (CH) | 142 |
| 4 (C) | 142.4 |
| 5 (C) | 175.7 |
| 6 (CH) | 115.3 |
| 7 (C) | 192.5 |
| 8 (C) | 56.7 |
| 9 (CH) | 41.1 |
| 10 (C) | 54.9 |
| 11 (CH) | 70 |
| 12 (CH) | 81 |
| 13 (C) | 89.3 |
| 14 (CH) | 58.2 |
| 15 (C) | 171.2 |
| 17 (CH3) | 21 |
| 19 (CH3) | 23 |
| 28 (CH3) | 12.4 |
| 30 (CH2) | 75.9 |
| 1a (C) | 174.6 |
| 1aa (CH3) | 53.9 |
