Spektraris NMR
Dictamnoside M
Common Name: Dictamnoside M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H48O14/c1-25(2,36)11-5-7-26(3)14(29)6-8-27(4,37)22(26)21(11)41-24-20(35)18(33)16(31)13(40-24)10-38-23-19(34)17(32)15(30)12(9-28)39-23/h11-24,28-37H,5-10H2,1-4H3/t11-,12-,13-,14+,15-,16-,17+,18+,19-,20-,21-,22-,23-,24+,26-,27-/m1/s1
InChIKey: InChIKey=ZXPNGVZPETVHKU-ZWGCQCCTSA-N
Formula: C27H48O14
Molecular Weight: 596.662694
Exact Mass: 596.304406
NMR Solvent: D2O
MHz:
Calibration:
NMR references: 13C - Chang, J., Xuan, L.J., Xu, Y.M., Zhang, J.S. J Nat Prod (2001) 64, 935-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 81.6 |
| 2 (CH2) | 29.6 |
| 3 (CH2) | 42.3 |
| 4 (C) | 76.6 |
| 5 (CH) | 55.3 |
| 6 (CH) | 82.3 |
| 7 (CH) | 46.8 |
| 8 (CH2) | 22.4 |
| 9 (CH2) | 37.1 |
| 10 (C) | 43 |
| 11 (C) | 77.4 |
| 12 (CH3) | 32.2 |
| 13 (CH3) | 32 |
| 14 (CH3) | 16.9 |
| 15 (CH3) | 25 |
| 1' (CH) | 102.6 |
| 2' (CH) | 75.9 |
| 3' (CH) | 77.6 |
| 4' (CH) | 72.2 |
| 5' (CH) | 78.7 |
| 6' (CH2) | 69.4 |
| 1'' (CH) | 101.3 |
| 2'' (CH) | 74.2 |
| 3'' (CH) | 76.1 |
| 4'' (CH) | 72.3 |
| 5'' (CH) | 74.5 |
| 6'' (CH2) | 63.2 |
