Spektraris NMR
12-Deoxyphorbaldehyde-13-hexadecacetate
Common Name: 12-Deoxyphorbaldehyde-13-hexadecacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H56O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(38)42-35-22-26(3)36(41)28(31(35)33(35,4)5)21-27(24-37)23-34(40)29(36)20-25(2)32(34)39/h20-21,24,26,28-29,31,40-41H,6-19,22-23H2,1-5H3/t26-,28+,29-,31-,34-,35+,36-/m1/s1
InChIKey: InChIKey=NFTGKFBSWRGMSO-IEIRSVMLSA-N
Formula: C36H56O6
Molecular Weight: 584.827604
Exact Mass: 584.40769
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, Y.B., Huang, R., Wang, H.B., Jin, H.Z., Lou, L.G., Qin, G.W. J Nat Prod (2006) 69, 967-70
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Tiglianes; 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) | 160.5 |
| 2 (C) | 133.5 |
| 3 (C) | 208.4 |
| 4 (C) | 72.8 |
| 5 (CH2) | 34.6 |
| 6 (C) | 142.9 |
| 7 (CH) | 158.2 |
| 8 (CH) | 41.5 |
| 9 (C) | 77.1 |
| 10 (CH) | 55.8 |
| 11 (CH) | 36.5 |
| 12 (CH2) | 31.8 |
| 13 (C) | 63 |
| 14 (CH) | 32.1 |
| 15 (C) | 22.7 |
| 16 (CH3) | 23.2 |
| 17 (CH3) | 15.3 |
| 18 (CH3) | 18.6 |
| 19 (CH3) | 10.1 |
| 20 (CH) | 193.8 |
| 13a (C) | 176.2 |
| 13b (CH2) | 34.4 |
| 13c (CH2) | 24.8 |
| 13d (CH2) | 29.1 |
| 13e (CH2) | 29.2 |
| 13f (CH2) | 29.3 |
| 13g (CH2) | 29.3 |
| 13h (CH2) | 29.4 |
| 13i (CH2) | 29.5 |
| 13j (CH2) | 29.5 |
| 13k (CH2) | 29.6 |
| 13l (CH2) | 29.7 |
| 13m (CH2) | 29.7 |
| 13n (CH2) | 31.9 |
| 13o (CH2) | 22.8 |
| 13p (CH3) | 14.1 |
