Spektraris NMR
Helenalin-[2-(1-hydroxyethyl)acrylate]
![Helenalin-[2-(1-hydroxyethyl)acrylate]](/nmr/static/nmr/svg/9819.svg)
Common Name: Helenalin-[2-(1-hydroxyethyl)acrylate]
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O6/c1-9-8-14-16(11(3)19(24)25-14)17(26-18(23)10(2)12(4)21)20(5)13(9)6-7-15(20)22/h6-7,9,12-14,16-17,21H,2-3,8H2,1,4-5H3/t9-,12+,13+,14-,16-,17+,20+/m1/s1
InChIKey: InChIKey=SUQFZABZUSAQSY-NYIKBGEQSA-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) | 165.6 |
| 3 (CH) | 130.8 |
| 4 (C) | 212.4 |
| 5 (C) | 57.3 |
| 6 (CH) | 79.5 |
| 7 (CH) | 49.7 |
| 8 (CH) | 80.5 |
| 9 (CH2) | 41.5 |
| 10 (CH) | 28 |
| 11 (C) | 140.3 |
| 12 (C) | 171.6 |
| 13 (CH2) | 125 |
| 14 (CH3) | 20.7 |
| 15 (CH3) | 19.5 |
| 6a (C) | 166.7 |
| 6b (C) | 147 |
| 6c (CH) | 67.2 |
| 6d (CH3) | 23.8 |
| 6ba (CH2) | 124.9 |
