Spektraris NMR
4,20-Dideoxyphorbol 12,13-bis(isobutyrate)
Common Name: 4,20-Dideoxyphorbol 12,13-bis(isobutyrate)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O6/c1-13(2)24(30)33-23-17(7)27(32)19-12-16(6)21(29)18(19)10-15(5)11-20(27)22-26(8,9)28(22,23)34-25(31)14(3)4/h11-14,17-20,22-23,32H,10H2,1-9H3/t17-,18+,19-,20+,22-,23-,27+,28-/m1/s1
InChIKey: InChIKey=KVMGTXYOMRXERQ-HLJWNXLPSA-N
Formula: C28H40O6
Molecular Weight: 472.614665
Exact Mass: 472.282489
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) | 160.2 |
| 2 (C) | 136.3 |
| 3 (C) | 210.2 |
| 4 (CH) | 44.5 |
| 5 (CH2) | 34 |
| 6 (C) | 139 |
| 7 (CH) | 125.8 |
| 8 (CH) | 42.2 |
| 9 (C) | 77.9 |
| 10 (CH) | 54.3 |
| 11 (CH) | 42.3 |
| 12 (CH) | 76.7 |
| 13 (C) | 65 |
| 14 (CH) | 35.9 |
| 15 (C) | 25.8 |
| 16 (CH3) | 23.9 |
| 17 (CH3) | 16.9 |
| 18 (CH3) | 15.1 |
| 19 (CH3) | 10.2 |
| 20 (CH3) | 25.4 |
| 12a (C) | 179.2 |
| 12b (CH) | 34.2 |
| 12c (CH3) | 19 |
| 12ba (CH3) | 18.6 |
| 13a (C) | 176.5 |
| 13b (CH) | 34.1 |
| 13c (CH3) | 18.9 |
| 13ba (CH3) | 18.5 |
