Spektraris NMR
4,12-Dideoxy(4α)phorbol-13-hexadecanoate
Common Name: 4,12-Dideoxy(4α)phorbol-13-hexadecanoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H58O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(38)41-35-23-26(3)36(40)29-20-25(2)32(39)28(29)21-27(24-37)22-30(36)33(35)34(35,4)5/h20,22,26,28-30,33,37,40H,6-19,21,23-24H2,1-5H3/t26-,28-,29-,30+,33-,35+,36+/m1/s1
InChIKey: InChIKey=MHCKFBXMZMDQED-MPNPSVEQSA-N
Formula: C36H58O5
Molecular Weight: 570.844081
Exact Mass: 570.428425
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Haba, H., Lavaud, C., Harkat, H., Alabdul Magid, A., Marcourt, L., Benkhaled, M. Phytochemistry (2007) 68, 1255-60
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) | 156.9 |
| 2 (C) | 143 |
| 3 (C) | 213.8 |
| 4 (CH) | 50.1 |
| 5 (CH2) | 25.1 |
| 6 (C) | 136.3 |
| 7 (CH) | 127.7 |
| 8 (CH) | 41 |
| 9 (C) | 75.5 |
| 10 (CH) | 47.1 |
| 11 (CH) | 37.1 |
| 12 (CH2) | 30.5 |
| 13 (C) | 62.7 |
| 14 (CH) | 33.1 |
| 15 (C) | 22.5 |
| 16 (CH3) | 23.7 |
| 17 (CH3) | 15.2 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 10.4 |
| 20 (CH2) | 69.5 |
| 13a (C) | 176 |
| 13b (CH2) | 34.6 |
| 13c (CH2) | 24.7 |
| 13d (CH2) | 22.7 |
| 13e (CH2) | 29.1 |
| 13f (CH2) | 29.2 |
| 13g (CH2) | 29.3 |
| 13h (CH2) | 29.3 |
| 13i (CH2) | 29.5 |
| 13j (CH2) | 29.5 |
| 13k (CH2) | 29.6 |
| 13l (CH2) | 29.6 |
| 13m (CH2) | 29.7 |
| 13n (CH2) | 29.7 |
| 13o (CH2) | 31.9 |
| 13p (CH3) | 14.1 |
