Spektraris NMR
4-deoxyphorbol 12,13-bis(isobutyrate) 20-acetate
Common Name: 4-deoxyphorbol 12,13-bis(isobutyrate) 20-acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O8/c1-14(2)26(33)37-25-17(6)29(35)21-10-16(5)23(32)20(21)11-19(13-36-18(7)31)12-22(29)24-28(8,9)30(24,25)38-27(34)15(3)4/h10,12,14-15,17,20-22,24-25,35H,11,13H2,1-9H3/t17-,20+,21-,22+,24-,25-,29+,30-/m1/s1
InChIKey: InChIKey=FGAVCJWVIQRUHW-YFSQJWBBSA-N
Formula: C30H42O8
Molecular Weight: 530.650828
Exact Mass: 530.287968
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marco, J.A., Sanz-Cervera, J.F., Checa, J., Palomares, E., Fraga, B.M. Phytochemistry (1999) 52, 479-85
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) | 159.8 |
| 2 (C) | 136.5 |
| 3 (C) | 209.6 |
| 4 (CH) | 44.1 |
| 5 (CH2) | 30 |
| 6 (C) | 137.2 |
| 7 (CH) | 130.3 |
| 8 (CH) | 42.2 |
| 9 (C) | 77.8 |
| 10 (CH) | 54 |
| 11 (CH) | 42.3 |
| 12 (CH) | 76.4 |
| 13 (C) | 64.8 |
| 14 (CH) | 35.5 |
| 15 (C) | 25.8 |
| 16 (CH3) | 23.8 |
| 17 (CH3) | 16.8 |
| 18 (CH3) | 15 |
| 19 (CH3) | 10.3 |
| 20 (CH2) | 68.9 |
| 12a (C) | 179.3 |
| 12b (CH) | 34.2 |
| 12c (CH3) | 19 |
| 12ba (CH3) | 18.8 |
| 13a (C) | 176.3 |
| 13b (CH) | 34.1 |
| 13c (CH3) | 18.9 |
| 13ba (CH3) | 18.5 |
| 20a (C) | 169.3 |
| 20b (CH3) | 21 |
