Spektraris NMR
13α-Acetoxy-3-0-angeloyl-17-benzoyloxyingenol
Common Name: 13α-Acetoxy-3-0-angeloyl-17-benzoyloxyingenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H40O9/c1-8-18(2)29(38)42-28-20(4)15-32-21(5)16-33(43-22(6)35)25(24(27(32)37)14-19(3)26(36)34(28,32)40)31(33,7)17-41-30(39)23-12-10-9-11-13-23/h8-15,21,24-26,28,36,40H,16-17H2,1-7H3/b18-8-/t21-,24+,25-,26-,28+,31+,32+,33+,34+/m1/s1
InChIKey: InChIKey=CZSCLLXJWRBYHJ-DTRHHDGXSA-N
Formula: C34H40O9
Molecular Weight: 592.677295
Exact Mass: 592.267233
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jakupovic, J., Jeske, F., Morgenstern, T., Tsichritzis, F., Marco, J.A., Berendsohn, W. Phytochemistry (1998) 47, 1583-600
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) | 131.6 |
| 2 (C) | 136.2 |
| 3 (CH) | 82.8 |
| 4 (C) | 84.7 |
| 5 (CH) | 77.5 |
| 6 (C) | 138.3 |
| 7 (CH) | 122.1 |
| 8 (CH) | 42.6 |
| 9 (C) | 205.1 |
| 10 (C) | 72 |
| 11 (CH) | 38.1 |
| 12 (CH2) | 35.2 |
| 13 (C) | 68.7 |
| 14 (CH) | 28.8 |
| 15 (C) | 34.1 |
| 16 (CH3) | 18.6 |
| 17 (CH2) | 63.6 |
| 18 (CH3) | 17.8 |
| 19 (CH3) | 15.9 |
| 20 (CH3) | 21.8 |
| 3a (C) | 168.4 |
| 3b (C) | 126.9 |
| 3c (CH) | 140.2 |
| 3d (CH3) | 15.6 |
| 3ba (CH3) | 20.7 |
| 13a (C) | 170.8 |
| 13b (CH3) | 21.2 |
| 17a (C) | 166.7 |
| 17b (C) | 130.2 |
| 17c (CH) | 129.7 |
| 17d (CH) | 128.4 |
| 17e (CH) | 132.9 |
| 17f (CH) | 128.4 |
| 17g (CH) | 129.7 |
