Spektraris NMR
17-Benzoyloxy-3-O-(2,3-dimethylbutanoyl)-20-deoxyingenol
Common Name: 17-Benzoyloxy-3-O-(2,3-dimethylbutanoyl)-20-deoxyingenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O6/c1-17(2)21(6)30(37)39-29-19(4)15-32-20(5)14-24-26(23(28(32)36)13-18(3)27(35)33(29,32)38)31(24,7)16-25(34)22-11-9-8-10-12-22/h8-13,15,17,20-21,23-24,26-27,29,35,38H,14,16H2,1-7H3/t20-,21?,23+,24-,26+,27-,29+,31-,32+,33+/m1/s1
InChIKey: InChIKey=QLARRKLGYULSKG-TUTILWGYSA-N
Formula: C33H42O6
Molecular Weight: 534.684226
Exact Mass: 534.298139
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lu, Z.Q., Yang, M., Zhang, J.Q., Chen, G.T., Huang, H.L., Guan, S.H., Ma, C., Liu, X., Guo, D.A. Phytochemistry (2008) 69, 812-9
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) | 132.1 |
| 2 (C) | 136.2 |
| 3 (CH) | 82 |
| 4 (C) | 85.2 |
| 5 (CH) | 76.7 |
| 6 (C) | 138.4 |
| 7 (CH) | 122.8 |
| 8 (CH) | 42.8 |
| 9 (C) | 206.7 |
| 10 (C) | 71.5 |
| 11 (CH) | 38.5 |
| 12 (CH2) | 30.5 |
| 13 (CH) | 23.8 |
| 14 (CH) | 23.4 |
| 15 (C) | 27.5 |
| 16 (CH3) | 24.2 |
| 17 (CH2) | 66.2 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 15.3 |
| 20 (CH3) | 21.6 |
| 3a (C) | 177.4 |
| 3b (CH) | 46 |
| 3c (CH) | 30.7 |
| 3d (CH3) | 20.3 |
| 3e (CH3) | 13.6 |
| 3f (CH3) | 18.8 |
| 17a (C) | 167 |
| 17b (C) | 130.3 |
| 17c (CH) | 129.5 |
| 17d (CH) | 128.3 |
| 17e (CH) | 133 |
| 17f (CH) | 128.3 |
| 17g (CH) | 129.5 |
