Spektraris NMR
17-Benzoyloxy-20-O-(2,3-dimethylbutanoyl)-13-octanoyloxyingenol
Common Name: 17-Benzoyloxy-20-O-(2,3-dimethylbutanoyl)-13-octanoyloxyingenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H56O9/c1-8-9-10-11-15-18-32(43)50-40-21-26(5)39-20-25(4)34(44)41(39,48)35(45)29(23-49-37(47)27(6)24(2)3)19-30(36(39)46)33(40)38(40,7)22-31(42)28-16-13-12-14-17-28/h12-14,16-17,19-20,24,26-27,30,33-35,44-45,48H,8-11,15,18,21-23H2,1-7H3/t26-,27?,30+,33-,34+,35-,38+,39+,40+,41-/m1/s1
InChIKey: InChIKey=XPFNSYNWTXDTAK-GLBKLLGBSA-N
Formula: C41H56O9
Molecular Weight: 692.879498
Exact Mass: 692.392433
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) | 128.8 |
| 2 (C) | 139.6 |
| 3 (CH) | 80.4 |
| 4 (C) | 84.3 |
| 5 (CH) | 73.8 |
| 6 (C) | 137.8 |
| 7 (CH) | 126.7 |
| 8 (CH) | 43.3 |
| 9 (C) | 204.8 |
| 10 (C) | 72.7 |
| 11 (CH) | 38.9 |
| 12 (CH2) | 35.4 |
| 13 (C) | 68.3 |
| 14 (CH) | 28.7 |
| 15 (C) | 33.9 |
| 16 (CH3) | 18.7 |
| 17 (CH2) | 65.5 |
| 18 (CH3) | 18.2 |
| 19 (CH3) | 15.3 |
| 20 (CH2) | 65.7 |
| 13a (C) | 173.5 |
| 13b (CH2) | 34.5 |
| 13c (CH2) | 24.8 |
| 13d (CH2) | 29.2 |
| 13e (CH2) | 28.9 |
| 13f (CH2) | 31.6 |
| 13g (CH2) | 22.6 |
| 13h (CH3) | 14 |
| 17a (C) | 166.8 |
| 17b (C) | 130.1 |
| 17c (CH) | 129.8 |
| 17d (CH) | 128.5 |
| 17e (CH) | 133.1 |
| 17f (CH) | 128.5 |
| 17g (CH) | 129.8 |
| 20a (C) | 176.3 |
| 20b (CH) | 46.1 |
| 20c (CH) | 31 |
| 20d (CH3) | 20.6 |
| 20e (CH3) | 13.6 |
| 20f (CH3) | 19.1 |
