Spektraris NMR
Amritoside C pentaacetate
Common Name: Amritoside C pentaacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H46O18/c1-17(38)48-16-25-29(50-19(3)40)30(51-20(4)41)31(52-21(5)42)33(53-25)55-27-14-37(45)34(44)54-24(22-11-12-47-15-22)13-35(37,6)26-10-9-23(49-18(2)39)28(32(43)46-8)36(26,27)7/h11-12,15,24-27,29-31,33,45H,9-10,13-14,16H2,1-8H3/t24-,25+,26-,27-,29+,30-,31+,33-,35-,36-,37+/m0/s1
InChIKey: InChIKey=WOHHWEUODSUFAI-QACZJLITSA-N
Formula: C37H46O18
Molecular Weight: 778.751792
Exact Mass: 778.268415
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) | 17 |
| 2 (CH2) | 28.4 |
| 3 (C) | 151.4 |
| 4 (C) | 127.3 |
| 5 (C) | 42.2 |
| 6 (CH) | 72.8 |
| 7 (CH2) | 28.4 |
| 8 (C) | 74.9 |
| 9 (C) | 42.8 |
| 10 (CH) | 39.9 |
| 11 (CH2) | 33.8 |
| 12 (CH) | 71.3 |
| 13 (C) | 124.8 |
| 14 (CH) | 108.6 |
| 15 (CH) | 139.9 |
| 16 (CH) | 143.8 |
| 17 (C) | 172.2 |
| 18 (C) | 168.4 |
| 19 (CH3) | 29.7 |
| 20 (CH3) | 15.9 |
| 1' (CH) | 101.4 |
| 2' (CH) | 71.3 |
| 3' (CH) | 72.5 |
| 4' (CH) | 68.7 |
| 5' (CH) | 71.6 |
| 6' (CH2) | 62.1 |
| 3a (C) | 170.3 |
| 3b (CH3) | 20.7 |
| 18a (CH3) | 51.7 |
| 2'a (C) | 174.8 |
| 2'b (CH3) | 20.8 |
| 3'a (C) | 170.3 |
| 3'b (CH3) | 20.7 |
| 4'a (C) | 169.5 |
| 4'b (CH3) | 20.6 |
| 6'a (C) | 169.2 |
| 6'b (CH3) | 20.5 |
