Spektraris NMR
Aglinin D
Common Name: Aglinin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-24(2)21-12-16-28(7)22(26(21,5)14-13-23(24)31)10-9-19-20(11-15-27(19,28)6)29(8)17-18-30(33,34-29)25(3,4)32/h19-22,32-33H,9-18H2,1-8H3/t19?,20-,21-,22?,26-,27+,28+,29-,30-/m0/s1
InChIKey: InChIKey=XVGPORFVRYBSFJ-OZBWZBCMSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mohamad, K., Sevenet, T., Dumontet, V., Pais, M., Van Tri, M., Hadi, H., Awang, K., Martin, M.T. Phytochemistry (1999) 51, 1031-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 40 |
| 2 (CH2) | 34.7 |
| 3 (C) | 218.2 |
| 4 (C) | 47.5 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 34.2 |
| 8 (C) | 41.8 |
| 9 (CH) | 50.1 |
| 10 (C) | 40.4 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 27.4 |
| 13 (CH) | 43.5 |
| 14 (C) | 50.5 |
| 15 (CH2) | 31.6 |
| 16 (CH2) | 26.8 |
| 17 (CH) | 50.3 |
| 18 (CH3) | 15.3 |
| 19 (CH3) | 16.2 |
| 20 (C) | 88.8 |
| 21 (CH3) | 24.4 |
| 22 (CH2) | 34.7 |
| 23 (CH2) | 31.6 |
| 24 (C) | 108.7 |
| 25 (C) | 74.4 |
| 26 (CH3) | 24.7 |
| 27 (CH3) | 24.2 |
| 28 (CH3) | 26 |
| 29 (CH3) | 21.1 |
| 30 (CH3) | 16.5 |
