Spektraris NMR
Amritoside D tetraacetate
Common Name: Amritoside D tetraacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O14/c1-17(34)41-16-23-26(42-18(2)35)27(43-19(3)36)28(44-20(4)37)29(45-23)47-25-9-7-8-24-31(25,5)11-12-33(39)30(38)46-22(14-32(24,33)6)21-10-13-40-15-21/h7,9-10,13,15,22-29,39H,8,11-12,14,16H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29-,31+,32-,33-/m0/s1
InChIKey: InChIKey=YESWNTFCWBLTJA-FFXAWWAMSA-N
Formula: C33H42O14
Molecular Weight: 662.679465
Exact Mass: 662.257456
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maurya, R., Manhas, L.R., Gupta, P., Mishra, P.K., Singh, G., Yadav, P.P. Phytochemistry (2004) 65, 2051-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 26.6 |
| 2 (CH) | 130 |
| 3 (CH) | 129.3 |
| 4 (CH) | 73.6 |
| 5 (C) | 37.8 |
| 6 (CH2) | 27.8 |
| 7 (CH2) | 29.6 |
| 8 (C) | 74.8 |
| 9 (C) | 39 |
| 10 (CH) | 43.8 |
| 11 (CH2) | 40 |
| 12 (CH) | 71.2 |
| 13 (C) | 125 |
| 14 (CH) | 108.8 |
| 15 (CH) | 141.8 |
| 16 (CH) | 139.9 |
| 17 (C) | 171.4 |
| 19 (CH3) | 23.6 |
| 20 (CH3) | 21.8 |
| 1' (CH) | 99.8 |
| 2' (CH) | 69.9 |
| 3' (CH) | 68.8 |
| 4' (CH) | 68.2 |
| 5' (CH) | 72.4 |
| 6' (CH2) | 61.8 |
| 2'a (C) | 170.2 |
| 2'b (CH3) | 21.2 |
| 3'a (C) | 169.8 |
| 3'b (CH3) | 20.8 |
| 4'a (C) | 168.4 |
| 4'b (CH3) | 20.8 |
| 6'a (C) | 168.2 |
| 6'b (CH3) | 20.8 |
