Spektraris NMR
17-Hidroxyingenol-17-benzoate-20-angelate
Common Name: 17-Hidroxyingenol-17-benzoate-20-angelate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H42O10/c1-8-19(2)32(40)43-17-25-15-26-28-27(34(28,7)18-44-33(41)24-12-10-9-11-13-24)14-21(4)35(29(26)39)16-20(3)30(45-22(5)37)36(35,42)31(25)46-23(6)38/h8-13,15-16,21,26-28,30-31,42H,14,17-18H2,1-7H3/b19-8-/t21-,26+,27-,28+,30+,31-,34-,35+,36-/m1/s1
InChIKey: InChIKey=PSLZVHPAJGFFCU-YOOAMOMQSA-N
Formula: C36H42O10
Molecular Weight: 634.714053
Exact Mass: 634.277798
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marco, J.A., Sanz Cervera, 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) | 131.8 |
| 2 (C) | 135.7 |
| 3 (CH) | 82 |
| 4 (C) | 85.7 |
| 5 (CH) | 74.6 |
| 6 (C) | 133.8 |
| 7 (CH) | 130.4 |
| 8 (CH) | 43.2 |
| 9 (C) | 204.3 |
| 10 (C) | 71.8 |
| 11 (CH) | 38.6 |
| 12 (CH2) | 30.9 |
| 13 (CH) | 24.1 |
| 14 (CH) | 23.5 |
| 15 (C) | 28 |
| 16 (CH3) | 24.4 |
| 17 (CH2) | 66.2 |
| 18 (CH3) | 16.6 |
| 19 (CH3) | 15.3 |
| 20 (CH2) | 64.9 |
| 3a (C) | 172.3 |
| 3b (CH3) | 21.1 |
| 5a (C) | 170.6 |
| 5b (CH3) | 20.7 |
| 17a (C) | 166.7 |
| 17b (C) | 133 |
| 17c (CH) | 129.5 |
| 17d (CH) | 130.2 |
| 17e (CH) | 128.4 |
| 17f (CH) | 130.2 |
| 17g (CH) | 129.5 |
| 20a (C) | 167.2 |
| 20b (C) | 127.5 |
| 20c (CH) | 138.4 |
| 20d (CH3) | 15.7 |
| 20ba (CH3) | 20.5 |
