Spektraris NMR
Amritoside A pentaacetate
Common Name: Amritoside A pentaacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H46O18/c1-17(37)48-16-27-29(50-19(3)39)30(51-20(4)40)31(52-21(5)41)33(54-27)53-26-14-36(45,34(43)44)35(6,13-25(49-18(2)38)22-11-12-47-15-22)24-10-8-9-23(28(24)26)32(42)46-7/h11-12,15,24-27,29-31,33,45H,8-10,13-14,16H2,1-7H3,(H,43,44)/t24-,25+,26+,27-,29-,30+,31-,33-,35+,36+/m1/s1
InChIKey: InChIKey=FZUWJYSCRWDFDH-ZIUOXSCBSA-N
Formula: C36H46O18
Molecular Weight: 766.741056
Exact Mass: 766.268415
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) | 18.1 |
| 2 (CH2) | 25.7 |
| 3 (CH2) | 27.4 |
| 4 (C) | 145.6 |
| 5 (C) | 129.1 |
| 6 (CH) | 73.8 |
| 7 (CH2) | 29.3 |
| 8 (C) | 75.5 |
| 9 (C) | 41.9 |
| 10 (CH) | 43.8 |
| 11 (CH2) | 40.6 |
| 12 (CH) | 71.2 |
| 13 (C) | 126.3 |
| 14 (CH) | 108.8 |
| 15 (CH) | 139.9 |
| 16 (CH) | 144.2 |
| 17 (C) | 172.9 |
| 18 (C) | 168.5 |
| 20 (CH3) | 23.5 |
| 1' (CH) | 99.7 |
| 2' (CH) | 72.2 |
| 3' (CH) | 72.1 |
| 4' (CH) | 68.8 |
| 5' (CH) | 72.2 |
| 6' (CH2) | 62.5 |
| 12a (C) | 171.1 |
| 12b (CH3) | 21.1 |
| 18a (CH3) | 51.9 |
| 2'a (C) | 170.7 |
| 2'b (CH3) | 21.1 |
| 3'a (C) | 169.8 |
| 3'b (CH3) | 21 |
| 4'a (C) | 169.4 |
| 4'b (CH3) | 21 |
| 6'a (C) | 169.4 |
| 6'b (CH3) | 21 |
