Spektraris NMR
Vernangulide B
Common Name: Vernangulide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O8/c1-6-21(10-27-14(5)24)7-15(28-19(25)12(3)9-23)16-13(4)20(26)29-18(16)17(21)11(2)8-22/h6,8,15-18,23H,1-4,7,9-10H2,5H3/t15-,16+,17+,18-,21+/m0/s1
InChIKey: InChIKey=GYESMJFGTLPHOY-NPGRCNIMSA-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 : Elemanes; 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) | 142.4 |
| 2 (CH2) | 114.7 |
| 3 (CH2) | 140.4 |
| 4 (C) | 145.2 |
| 5 (CH) | 46.7 |
| 6 (CH) | 77.8 |
| 7 (CH) | 52.1 |
| 8 (CH) | 70.3 |
| 9 (CH2) | 40.5 |
| 10 (C) | 45.5 |
| 11 (C) | 138 |
| 12 (C) | 168.4 |
| 13 (CH2) | 120.2 |
| 14 (CH2) | 66.3 |
| 15 (CH) | 195.3 |
| 8a (C) | 166 |
| 8b (C) | 141.7 |
| 8c (CH2) | 61.4 |
| 8d (CH2) | 125.4 |
| 14a (C) | 171.2 |
| 14b (CH3) | 21.1 |
