Spektraris NMR
17-Hidroxyingenol-17-benzoate-20-angelate
Common Name: 17-Hidroxyingenol-17-benzoate-20-angelate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H38O8/c1-6-17(2)28(36)39-15-21-13-22-24-23(30(24,5)16-40-29(37)20-10-8-7-9-11-20)12-19(4)31(27(22)35)14-18(3)25(33)32(31,38)26(21)34/h6-11,13-14,19,22-26,33-34,38H,12,15-16H2,1-5H3/b17-6-/t19-,22+,23-,24+,25+,26-,30-,31+,32-/m1/s1
InChIKey: InChIKey=OTHCHCNQKHHGNQ-PHEQUDGUSA-N
Formula: C32H38O8
Molecular Weight: 550.640537
Exact Mass: 550.256668
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marco, J.A., SanzCervera, J.F., Yuste, A. Phytochemistry (1997) 45, 563-70
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Ingenanes; 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) | 128.9 |
| 2 (C) | 139.4 |
| 3 (CH) | 80.1 |
| 4 (C) | 84.4 |
| 5 (CH) | 73.7 |
| 6 (C) | 137.4 |
| 7 (CH) | 126.2 |
| 8 (CH) | 43.6 |
| 9 (C) | 206 |
| 10 (C) | 72.5 |
| 11 (CH) | 39.6 |
| 12 (CH2) | 30.7 |
| 13 (CH) | 24.2 |
| 14 (CH) | 23.5 |
| 15 (C) | 27.7 |
| 16 (CH3) | 24.4 |
| 17 (CH2) | 66.2 |
| 18 (CH3) | 16.9 |
| 19 (CH3) | 15.3 |
| 20 (CH2) | 65.8 |
| 17a (C) | 166.9 |
| 17b (C) | 133 |
| 17c (CH) | 129.5 |
| 17d (CH) | 130.1 |
| 17e (CH) | 128.4 |
| 17f (CH) | 130.1 |
| 17g (CH) | 128.4 |
| 20a (C) | 167.9 |
| 20b (C) | 127.6 |
| 20c (CH) | 138.4 |
| 20d (CH3) | 15.7 |
| 20ba (CH3) | 20.5 |
