Spektraris NMR
Dictamnusine
Common Name: Dictamnusine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O10/c1-9-11(29-20-17(26)16(25)14(23)12(7-22)30-20)3-5-21(2)13(9)15(24)19(27)31-18(21)10-4-6-28-8-10/h4,6,8-9,11-12,14,16-18,20,22-26H,3,5,7H2,1-2H3/t9-,11+,12-,14-,16+,17-,18+,20-,21+/m1/s1
InChIKey: InChIKey=XAOOOVFRRCYNSK-IMOONTIISA-N
Formula: C21H28O10
Molecular Weight: 440.441844
Exact Mass: 440.168247
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Yoon, J.S., Sung, S.H., Kim, Y.C. J Nat Prod (2008) 71, 208-11
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 |
|---|---|
| 8 (CH) | 31.7 |
| 9 (CH) | 76.9 |
| 11 (CH2) | 27.4 |
| 12 (CH2) | 21.4 |
| 13 (C) | 36.2 |
| 14 (C) | 135.3 |
| 15 (C) | 135.5 |
| 16 (C) | 162.2 |
| 17 (CH) | 80.8 |
| 18 (CH3) | 19.7 |
| 20 (C) | 120 |
| 21 (CH) | 141.4 |
| 22 (CH) | 110.2 |
| 23 (CH) | 143.1 |
| 30 (CH3) | 18.3 |
| 1' (CH) | 101.8 |
| 2' (CH) | 73.3 |
| 3' (CH) | 76.7 |
| 4' (CH) | 70.1 |
| 5' (CH) | 76.7 |
| 6' (CH2) | 61.1 |
