Spektraris NMR
6-O-(3'',4''-O-Di-cinnamoyl)-rhamnopyranosylcatalpol
Common Name: 6-O-(3'',4''-O-Di-cinnamoyl)-rhamnopyranosylcatalpol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H44O16/c1-20-32(51-25(42)14-12-21-8-4-2-5-9-21)34(52-26(43)15-13-22-10-6-3-7-11-22)31(47)38(49-20)53-33-23-16-17-48-36(27(23)39(19-41)35(33)55-39)54-37-30(46)29(45)28(44)24(18-40)50-37/h2-17,20,23-24,27-38,40-41,44-47H,18-19H2,1H3/b14-12+,15-13+/t20-,23+,24+,27+,28+,29-,30+,31+,32-,33-,34-,35-,36-,37-,38-,39+/m0/s1
InChIKey: InChIKey=GXFSYJAJOALONP-OYQRJKHXSA-N
Formula: C39H44O16
Molecular Weight: 768.758572
Exact Mass: 768.262935
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Taskova, R.M., Gotfredsen, C.H., Jensen, S.R. Phytochemistry (2006) 67, 286-301
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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 (CH) | 95.2 |
| 3 (CH) | 142.4 |
| 4 (CH) | 103.4 |
| 5 (CH) | 37.3 |
| 6 (CH) | 84.4 |
| 7 (CH) | 59.4 |
| 8 (C) | 66.6 |
| 9 (CH) | 43.4 |
| 10 (CH2) | 61.5 |
| 1' (CH) | 99.7 |
| 2' (CH) | 74.8 |
| 3' (CH) | 77.7 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.6 |
| 6' (CH2) | 63 |
| 1'' (CH) | 100.4 |
| 2'' (CH) | 70.3 |
| 3'' (CH) | 73.3 |
| 4'' (CH) | 72.7 |
| 5'' (CH) | 68.3 |
| 6'' (CH3) | 17.9 |
| 3''a (C) | 167.7 |
| 3''b (CH) | 118.4 |
| 3''c (CH) | 147.3 |
| 3''d (C) | 135.6 |
| 3''e (CH) | 129.9 |
| 3''f (CH) | 129.3 |
| 3''g (CH) | 131.6 |
| 3''h (CH) | 129.3 |
| 3''i (CH) | 129.9 |
| 4''a (C) | 167.7 |
| 4''b (CH) | 118.1 |
| 4''c (CH) | 147.1 |
| 4''d (C) | 135.5 |
| 4''e (CH) | 129.9 |
| 4''f (CH) | 129.2 |
| 4''g (CH) | 131.5 |
| 4''h (CH) | 129.2 |
| 4''i (CH) | 129.9 |
