Spektraris NMR
Vernangulide A
Common Name: Vernangulide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O8/c1-12(9-22)20(25)28-18-8-16(11-27-14(3)24)6-4-5-15(10-23)7-17-19(18)13(2)21(26)29-17/h6-7,10,17-19,22H,1-2,4-5,8-9,11H2,3H3/b15-7+,16-6+/t17-,18-,19-/m0/s1
InChIKey: InChIKey=NVEYSKFDXKUOIS-WZJKWMMRSA-N
Formula: C21H24O8
Molecular Weight: 404.411271
Exact Mass: 404.147118
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Pedersen, M.M., Chukwujekwu, J.C., Lategan, C.A., Staden, J., Smith, P.J., Staerk, D. Phytochemistry (2009) 70, 601-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 135.5 |
| 2 (CH2) | 25.4 |
| 3 (CH2) | 24.9 |
| 4 (C) | 142.3 |
| 5 (CH) | 148.5 |
| 6 (CH) | 76.5 |
| 7 (CH) | 49.6 |
| 8 (CH) | 70.7 |
| 9 (CH2) | 42.5 |
| 10 (C) | 131.8 |
| 11 (C) | 135.3 |
| 12 (C) | 169.3 |
| 13 (CH2) | 127.9 |
| 14 (CH2) | 62.6 |
| 15 (CH) | 195 |
| 8a (C) | 165.5 |
| 8b (C) | 141.9 |
| 8c (CH2) | 61.1 |
| 8d (CH2) | 124.6 |
| 14a (C) | 170.9 |
| 14b (CH3) | 20.8 |
