Spektraris NMR
4-Deoxyphorbol 12,13-bis(isobutyrate)
Common Name: 4-Deoxyphorbol 12,13-bis(isobutyrate)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O7/c1-13(2)24(31)34-23-16(6)27(33)19-9-15(5)21(30)18(19)10-17(12-29)11-20(27)22-26(7,8)28(22,23)35-25(32)14(3)4/h9,11,13-14,16,18-20,22-23,29,33H,10,12H2,1-8H3/t16-,18+,19-,20+,22-,23-,27+,28-/m1/s1
InChIKey: InChIKey=HHPIZKZZGUIAPH-XLXOLHELSA-N
Formula: C28H40O7
Molecular Weight: 488.61407
Exact Mass: 488.277404
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) | 136.4 |
| 3 (C) | 209.7 |
| 4 (CH) | 44.2 |
| 5 (CH2) | 29.6 |
| 6 (C) | 142 |
| 7 (CH) | 126.5 |
| 8 (CH) | 42.1 |
| 9 (C) | 77.8 |
| 10 (CH) | 54.2 |
| 11 (CH) | 42.4 |
| 12 (CH) | 76.7 |
| 13 (C) | 65 |
| 14 (CH) | 35.8 |
| 15 (C) | 25.9 |
| 16 (CH3) | 23.8 |
| 17 (CH3) | 16.9 |
| 18 (CH3) | 15.1 |
| 19 (CH3) | 10.2 |
| 20 (CH2) | 67.5 |
| 12a (C) | 179.3 |
| 12b (CH) | 34.2 |
| 12c (CH3) | 19.1 |
| 12ba (CH3) | 18.6 |
| 13a (C) | 176.5 |
| 13b (CH) | 34.2 |
| 13c (CH3) | 18.9 |
| 13ba (CH3) | 18.5 |
