Spektraris NMR
Amritoside B pentaacetate
Common Name: Amritoside B pentaacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H50O19/c1-18(38)50-17-25-28(52-20(3)40)29(53-21(4)41)30(54-22(5)42)31(55-25)56-27-15-37(47,32(43)44)34(6,14-24(51-19(2)39)23-11-13-49-16-23)26-10-9-12-36(46,33(45)48-8)35(26,27)7/h11,13,16,24-31,46-47H,9-10,12,14-15,17H2,1-8H3,(H,43,44)/t24-,25-,26+,27+,28-,29+,30-,31+,34+,35+,36+,37-/m1/s1
InChIKey: InChIKey=RIJFQNJLWKFNDP-JDZWLVOHSA-N
Formula: C37H50O19
Molecular Weight: 798.78296
Exact Mass: 798.294629
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) | 17.7 |
| 2 (CH2) | 25.3 |
| 3 (CH2) | 27 |
| 4 (C) | 77.6 |
| 5 (C) | 35.2 |
| 6 (CH) | 75 |
| 7 (CH2) | 29.7 |
| 8 (C) | 77.6 |
| 9 (C) | 41.4 |
| 10 (CH) | 40.4 |
| 11 (CH2) | 40.2 |
| 12 (CH) | 71.7 |
| 13 (C) | 125.9 |
| 14 (CH) | 108.4 |
| 15 (CH) | 139.5 |
| 16 (CH) | 143.9 |
| 17 (C) | 172 |
| 18 (C) | 170.5 |
| 19 (CH3) | 23 |
| 20 (CH3) | 14.5 |
| 1' (CH) | 99.3 |
| 2' (CH) | 73.5 |
| 3' (CH) | 70.8 |
| 4' (CH) | 68.8 |
| 5' (CH) | 73 |
| 6' (CH2) | 62.1 |
| 12a (C) | 170.7 |
| 12b (CH3) | 21.1 |
| 18a (CH3) | 51.6 |
| 2'a (C) | 170.7 |
| 2'b (CH3) | 21.1 |
| 3'a (C) | 170.7 |
| 3'b (CH3) | 21 |
| 4'a (C) | 170.7 |
| 4'b (CH3) | 21.1 |
| 6'a (C) | 170.7 |
| 6'b (CH3) | 21.1 |
