Spektraris NMR
Suspensolide A
Common Name: Suspensolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O14/c1-11(2)5-18(29)39-23-19-15(6-17(37-13(4)28)25(19,33)10-36-12(3)27)14(8-34-23)9-35-24-22(32)21(31)20(30)16(7-26)38-24/h8,11,15-17,19-24,26,30-33H,5-7,9-10H2,1-4H3/t15-,16-,17+,19-,20-,21+,22-,23+,24-,25-/m1/s1
InChIKey: InChIKey=GXOLEBHJEQBYAG-JXGCLKDXSA-N
Formula: C25H38O14
Molecular Weight: 562.561815
Exact Mass: 562.226156
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Mohamed, M.A., Marzouk, M.S., Moharram, F.A., ElSayed, M.M., Baiuomy, A.R. Phytochemistry (2005) 66, 2780-6
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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) | 90.51 |
| 3 (CH) | 139.94 |
| 4 (C) | 115.54 |
| 5 (CH) | 33.37 |
| 6 (CH2) | 35.73 |
| 7 (CH) | 80.34 |
| 8 (C) | 81.79 |
| 9 (CH) | 45.2 |
| 10 (CH2) | 67.3 |
| 11 (CH2) | 68.9 |
| 1' (CH) | 102.93 |
| 2' (CH) | 74.44 |
| 3' (CH) | 77.35 |
| 4' (CH) | 71.55 |
| 5' (CH) | 77.81 |
| 6' (CH2) | 62.59 |
| 1a (C) | 171.24 |
| 1b (CH2) | 43.5 |
| 1c (CH) | 26.03 |
| 1d (CH3) | 22.37 |
| 1e (CH3) | 22.37 |
| 7a (C) | 170.79 |
| 7b (CH3) | 20.89 |
| 10a (C) | 170.29 |
| 10b (CH3) | 20.79 |
