Spektraris NMR
20-O-Acetyl-3-O-angeloyl-17-angeloyloxyingenol
Common Name: 20-O-Acetyl-3-O-angeloyl-17-angeloyloxyingenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H42O9/c1-9-16(3)28(36)40-15-30(8)23-11-19(6)31-13-18(5)27(41-29(37)17(4)10-2)32(31,38)25(34)21(14-39-20(7)33)12-22(24(23)30)26(31)35/h9-10,12-13,19,22-25,27,34,38H,11,14-15H2,1-8H3/b16-9-,17-10-/t19-,22+,23-,24+,25-,27+,30-,31+,32+/m1/s1
InChIKey: InChIKey=NNUPVFIXTQOMDD-DXKBCKEJSA-N
Formula: C32H42O9
Molecular Weight: 570.671705
Exact Mass: 570.282883
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) | 136.4 |
| 3 (CH) | 82.3 |
| 4 (C) | 54.9 |
| 5 (CH) | 74.6 |
| 6 (C) | 136.2 |
| 7 (CH) | 128.1 |
| 8 (CH) | 43.1 |
| 9 (C) | 205.5 |
| 10 (C) | 72 |
| 11 (CH) | 38.4 |
| 12 (CH2) | 30.8 |
| 13 (CH) | 24.2 |
| 14 (CH) | 23.4 |
| 15 (C) | 27.6 |
| 16 (CH3) | 24.5 |
| 17 (CH2) | 65.1 |
| 18 (CH3) | 16.8 |
| 19 (CH3) | 15.5 |
| 20 (CH2) | 66.5 |
| 3a (C) | 168.2 |
| 3b (C) | 127.1 |
| 3c (CH) | 137.8 |
| 3d (CH3) | 13.7 |
| 3ba (CH3) | 20.6 |
| 17a (C) | 168.2 |
| 17b (C) | 139.7 |
| 17c (CH) | 139.7 |
| 17d (CH3) | 15.8 |
| 17ba (CH3) | 20.7 |
| 20a (C) | 170.9 |
| 20b (CH3) | 20.9 |
