Spektraris NMR
(2S*,3S*,4R*,5R*,6R*,8S*, 12S*, 13S*, 14R*,15R*)-5,8,14-Triacetoxy-3-benzoyloxy- 15-hydroxy-9-oxo-paraliane
Common Name: (2S*,3S*,4R*,5R*,6R*,8S*, 12S*, 13S*, 14R*,15R*)-5,8,14-Triacetoxy-3-benzoyloxy- 15-hydroxy-9-oxo-paraliane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O10/c1-17-14-32(39)23(24(17)42-26(37)21-12-10-9-11-13-21)25(40-18(2)34)30(7)16-33(43-20(4)36)22(15-29(5,6)27(33)38)31(30,8)28(32)41-19(3)35/h9-13,17,22-25,28,39H,14-16H2,1-8H3/t17-,22-,23+,24-,25+,28+,30-,31+,32+,33-/m0/s1
InChIKey: InChIKey=IEQTVHJLWRGNIY-ANWQMKQLSA-N
Formula: C33H42O10
Molecular Weight: 598.681846
Exact Mass: 598.277798
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jakupovic, J., Morgenstern, T., Marco, J.A., Berendsohn, W. Phytochemistry (1998) 47, 1611-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Paralianes; 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 (CH2) | 44.6 |
| 2 (CH) | 36.2 |
| 3 (CH) | 77.5 |
| 4 (CH) | 48 |
| 5 (CH) | 69.1 |
| 6 (C) | 52 |
| 7 (CH2) | 41.2 |
| 8 (C) | 90.9 |
| 9 (C) | 216.3 |
| 10 (C) | 46.1 |
| 11 (CH2) | 33.5 |
| 12 (CH) | 40.4 |
| 13 (C) | 52.5 |
| 14 (CH) | 73.4 |
| 15 (C) | 84.4 |
| 16 (CH3) | 16.1 |
| 17 (CH3) | 16.6 |
| 18 (CH3) | 25.4 |
| 19 (CH3) | 28.7 |
| 20 (CH3) | 17 |
| 3a (C) | 165.6 |
| 3b (C) | 129.9 |
| 3c (CH) | 129.4 |
| 3d (CH) | 128.5 |
| 3e (CH) | 133.2 |
| 3f (CH) | 128.5 |
| 3g (CH) | 129.4 |
| 5a (C) | 169.9 |
| 5b (CH3) | 20.9 |
| 8a (C) | 169.7 |
| 8b (CH3) | 20.7 |
| 14a (C) | 169.8 |
| 14b (CH3) | 20.9 |
