Spektraris NMR
Helenalin-[(2-hydroxyethyl-3-methyl)acrylate]
![Helenalin-[(2-hydroxyethyl-3-methyl)acrylate]](/nmr/static/nmr/svg/9820.svg)
Common Name: Helenalin-[(2-hydroxyethyl-3-methyl)acrylate]
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O6/c1-5-12(9-21)19(24)26-17-16-11(3)18(23)25-14(16)8-10(2)13-6-7-15(22)20(13,17)4/h5-7,10,13-14,16-17,21H,3,8-9H2,1-2,4H3/b12-5-/t10-,13+,14-,16-,17+,20+/m1/s1
InChIKey: InChIKey=KIURVBZLCHKNCM-FHUYBAJXSA-N
Formula: C20H24O6
Molecular Weight: 360.401726
Exact Mass: 360.157289
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Ramanandraibe, V., Martin, M.T., Rakotondramanana, D.L., Mambu, L., Ramanitrahasimbola, D., Labaied, M., Grellier, P., Rasoanaivo, P., Frappier, F. J Nat Prod (2005) 68, 800-3
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Ambrosanes; 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) | 55.5 |
| 2 (CH) | 165.8 |
| 3 (CH) | 130.5 |
| 4 (C) | 211.9 |
| 5 (C) | 57.3 |
| 6 (CH) | 79.1 |
| 7 (CH) | 49.3 |
| 8 (CH) | 80.4 |
| 9 (CH2) | 41.4 |
| 10 (CH) | 28 |
| 11 (C) | 140.2 |
| 12 (C) | 171.9 |
| 13 (CH2) | 124.7 |
| 14 (CH3) | 20.3 |
| 15 (CH3) | 18.9 |
| 6a (C) | 167.2 |
| 6b (C) | 133.7 |
| 6c (CH) | 140.9 |
| 6d (CH3) | 16 |
| 6ba (CH2) | 64.3 |
