Spektraris NMR
Aulacocarpin 4b
Common Name: Aulacocarpin 4b
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H40O7/c1-17(28)31-15-21(23(33-19(3)30)16-32-18(2)29)8-10-22-20(14-27)9-11-24-25(4,5)12-7-13-26(22,24)6/h8-9,22-24,27H,7,10-16H2,1-6H3/b21-8-/t22-,23?,24-,26+/m0/s1
InChIKey: InChIKey=OSRWMUQLQFFAIE-QDOVJCBZSA-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) | 35.6 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 41.1 |
| 4 (C) | 35.6 |
| 5 (CH) | 51.6 |
| 6 (CH2) | 17.8 |
| 7 (CH) | 126.1 |
| 8 (C) | 136.7 |
| 9 (CH) | 48.7 |
| 10 (C) | 35.6 |
| 11 (CH2) | 24.1 |
| 12 (CH) | 139.4 |
| 13 (C) | 126.7 |
| 14 (CH) | 69.2 |
| 15 (CH2) | 64.9 |
| 16 (CH2) | 64.3 |
| 17 (CH2) | 63.1 |
| 18 (CH3) | 32.1 |
| 19 (CH3) | 20.9 |
| 20 (CH3) | 13 |
| 14a (C) | 169.7 |
| 14b (CH3) | 20 |
| 15a (C) | 169.6 |
| 15b (CH3) | 19.9 |
| 16a (C) | 169.5 |
| 16b (CH3) | 19.8 |
