Spektraris NMR
6alpha-(4'-O-Stearyl-7'E-coumaryloxy)eudesm-4(14)-ene
Common Name: 6alpha-(4'-O-Stearyl-7'E-coumaryloxy)eudesm-4(14)-ene
Synonyms: 6alpha-(4'-O-Stearyl-7'E-coumaryloxy)eudesm-4(14)-ene
CAS Registry Number:
InChI: InChI=1S/C42H66O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-38(43)45-36-27-24-35(25-28-36)26-29-39(44)46-41-37(33(2)3)30-32-42(5)31-21-22-34(4)40(41)42/h24-29,33,37,40-41H,4,6-23,30-32H2,1-3,5H3/b29-26+/t37-,40+,41-,42+/m0/s1
InChIKey: InChIKey=VHWWPCNKLZTDOI-NUCLRYLDSA-N
Formula: C42H66O4
Molecular Weight: 634.972617
Exact Mass: 634.496111
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chaturvedula, V.S., Farooq, A., Schilling, J.K., Malone, S., Derveld, I., Werkhoven, M.C., Wisse, J.H., Ratsimbason, M., Kingston, D.G. J Nat Prod (2004) 67, 2053-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH2) | 40.3 |
| 2 (CH2) | 24.4 |
| 3 (CH2) | 42.3 |
| 4 (C) | 146.4 |
| 5 (CH) | 56 |
| 6 (CH) | 71.5 |
| 7 (CH) | 49.6 |
| 8 (CH2) | 18.4 |
| 9 (CH2) | 38.1 |
| 10 (C) | 38.2 |
| 11 (CH) | 26.2 |
| 12 (CH3) | 17.7 |
| 13 (CH3) | 21.5 |
| 14 (CH3) | 16.2 |
| 15 (CH2) | 106.8 |
| 6a (C) | 167.1 |
| 6b (CH) | 118.8 |
| 6c (CH) | 146.4 |
| 6d (C) | 132.3 |
| 6e (CH) | 129.2 |
| 6f (CH) | 122.1 |
| 6g (C) | 152.1 |
| 6h (CH) | 122.1 |
| 6i (CH) | 129.2 |
| 6ga (C) | 172.1 |
| 6gb (CH2) | 34.5 |
| 6gc (CH2) | 25 |
| 6gd (CH2) | 29.5 |
| 6ge (CH2) | 29.5 |
| 6gf (CH2) | 29.5 |
| 6gg (CH2) | 29.5 |
| 6gh (CH2) | 29.5 |
| 6gi (CH2) | 29.5 |
| 6gj (CH2) | 29.5 |
| 6gk (CH2) | 29.5 |
| 6gl (CH2) | 29.5 |
| 6gm (CH2) | 29.5 |
| 6gn (CH2) | 29.5 |
| 6go (CH2) | 29.5 |
| 6gp (CH2) | 32 |
| 6gq (CH2) | 22.8 |
| 6gr (CH3) | 14.2 |
