Spektraris NMR
Splenolide A
Common Name: Splenolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O6/c1-19-8-15(11-5-7-24-9-11)26-18(23)12(19)4-6-20-10-25-17(22)13(20)2-3-14(21)16(19)20/h2-3,5,7,9,12-16,21H,4,6,8,10H2,1H3/t12-,13+,14-,15-,16-,19+,20-/m1/s1
InChIKey: InChIKey=MYHFDQGUNLKIHV-ODESWZHGSA-N
Formula: C20H22O6
Molecular Weight: 358.385844
Exact Mass: 358.141638
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Hu, D.P., Kawazoe, K., Takaishi, Y. Phytochemistry (1997) 46, 781-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH) | 65.3 |
| 2 (CH) | 135.5 |
| 3 (CH) | 120.1 |
| 4 (CH) | 52.4 |
| 5 (C) | 42.6 |
| 6 (CH2) | 32.2 |
| 7 (CH2) | 18.9 |
| 8 (CH) | 50.8 |
| 9 (C) | 35.9 |
| 10 (CH) | 44.2 |
| 11 (CH2) | 43.8 |
| 12 (CH) | 72.6 |
| 13 (C) | 125.5 |
| 14 (CH) | 108.5 |
| 15 (CH) | 143.7 |
| 16 (CH) | 139.6 |
| 17 (C) | 176.2 |
| 18 (C) | 173.2 |
| 19 (CH2) | 71.1 |
| 20 (CH3) | 24.1 |
