Spektraris NMR
Aulacocarpin ab
Common Name: Aulacocarpin ab
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H40O7/c1-17(27)30-14-20(21(33-19(3)29)15-31-18(2)28)8-9-23-25(6)12-7-11-24(4,5)22(25)10-13-26(23)16-32-26/h8,21-23H,7,9-16H2,1-6H3/b20-8-/t21?,22-,23+,25-,26+/m0/s1
InChIKey: InChIKey=UOTXGLUIIGURHP-IVGGBZNQSA-N
Formula: C26H40O7
Molecular Weight: 464.592598
Exact Mass: 464.277404
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sob, S.V.T., Tane, P., Ngadjui, B.T., Connolly, J.D., Ma, D. Tetrahedron (2007) 63, 8993-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 39.6 |
| 2 (CH2) | 19 |
| 3 (CH2) | 42.3 |
| 4 (C) | 33.9 |
| 5 (CH) | 53.7 |
| 6 (CH2) | 20.5 |
| 7 (CH2) | 36.3 |
| 8 (C) | 57.7 |
| 9 (CH) | 55.4 |
| 10 (C) | 40.2 |
| 11 (CH2) | 20.6 |
| 12 (CH) | 140.1 |
| 13 (C) | 129.1 |
| 14 (CH) | 70.5 |
| 15 (CH2) | 64.5 |
| 16 (CH2) | 65.4 |
| 17 (CH2) | 49.4 |
| 18 (CH3) | 33.9 |
| 19 (CH3) | 22.1 |
| 20 (CH3) | 15 |
| 14a (C) | 170.9 |
| 14b (CH3) | 21.4 |
| 15a (C) | 170.9 |
| 15b (CH3) | 21.2 |
| 16a (C) | 170.3 |
| 16b (CH3) | 21.2 |
